Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08165"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"indane-5-sulfonamide"
|
| drugbank:description |
"
experimental
This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
Benzenesulfonamides
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Benzenesulfonamides
Indanes
Sulfonamides
Sulfonyls
Polyamines
sulfonyl
sulfonamide
sulfonic acid derivative
polyamine
logP
1.18
ALOGPS
logS
-2.4
ALOGPS
Water Solubility
7.70e-01 g/l
ALOGPS
logP
1.59
ChemAxon
IUPAC Name
2,3-dihydro-1H-indene-5-sulfonamide
ChemAxon
Traditional IUPAC Name
2,3-dihydro-1H-indene-5-sulfonamide
ChemAxon
Molecular Weight
197.254
ChemAxon
Monoisotopic Weight
197.051049291
ChemAxon
SMILES
NS(=O)(=O)C1=CC=C2CCCC2=C1
ChemAxon
Molecular Formula
C9H11NO2S
ChemAxon
InChI
InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)
ChemAxon
InChIKey
InChIKey=XVQJTFMKKZBBSX-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
60.16
ChemAxon
Refractivity
51.1
ChemAxon
Polarizability
20.22
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
10.46
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
96876
PubChem Substance
99444636
ChemSpider
87470
PDB
MAJ
BE0000322
Carbonic anhydrase 2
Human
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Carbonic anhydrase 2
Inorganic ion transport and metabolism
Reversible hydration of carbon dioxide
CA2
8q22
Cytoplasm
None
7.47
29115.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:1373
GenAtlas
CA2
GeneCards
CA2
GenBank Gene Database
M77181
GenBank Protein Database
179780
UniProtKB
P00918
UniProt Accession
CAH2_HUMAN
CA-II
Carbonate dehydratase II
Carbonic anhydrase C
Carbonic anhydrase II
EC 4.2.1.1
>Carbonic anhydrase 2
SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILN
NGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLV
HWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPR
GLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMV
DNWRPAQPLKNRQIKASFK
>783 bp
ATGTCCCATCACTGGGGGTACGGCAAACACAACGGACCTGAGCACTGGCATAAGGACTTC
CCCATTGCCAAGGGAGAGCGCCAGTCCCCTGTTGACATCGACACTCATACAGCCAAGTAT
GACCCTTCCCTGAAGCCCCTGTCTGTTTCCTATGATCAAGCAACTTCCCTGAGGATCCTC
AACAATGGTCATGCTTTCAACGTGGAGTTTGATGACTCTCAGGACAAAGCAGTGCTCAAG
GGAGGACCCCTGGATGGCACTTACAGATTGATTCAGTTTCACTTTCACTGGGGTTCACTT
GATGGACAAGGTTCAGAGCATACTGTGGATAAAAAGAAATATGCTGCAGAACTTCACTTG
GTTCACTGGAACACCAAATATGGGGATTTTGGGAAAGCTGTGCAGCAACCTGATGGACTG
GCCGTTCTAGGTATTTTTTTGAAGGTTGGCAGCGCTAAACCGGGCCTTCAGAAAGTTGTT
GATGTGCTGGATTCCATTAAAACAAAGGGCAAGAGTGCTGACTTCACTAACTTCGATCCT
CGTGGCCTCCTTCCTGAATCCTTGGATTACTGGACCTACCCAGGCTCACTGACCACCCCT
CCTCTTCTGGAATGTGTGACCTGGATTGTGCTCAAGGAACCCATCAGCGTCAGCAGCGAG
CAGGTGTTGAAATTCCGTAAACTTAACTTCAATGGGGAGGGTGAACCCGAAGAACTGATG
GTGGACAACTGGCGCCCAGCTCAGCCACTGAAGAACAGGCAAATCAAAGCTTCCTTCAAA
TAA
PF00194
Carb_anhydrase
function
lyase activity
function
ion binding
function
cation binding
function
transition metal ion binding
function
zinc ion binding
function
carbon-oxygen lyase activity
function
binding
function
hydro-lyase activity
function
carbonate dehydratase activity
function
catalytic activity
process
physiological process
process
one-carbon compound metabolism
process
metabolism
process
cellular metabolism
"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object