4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide

C16H14N4O2S — CID 137226330

IUPAC4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccccc2NC3)cc1
InChIInChI=1S/C16H14N4O2S/c17-23(21,22)13-7-5-12(6-8-13)20-10-11-9-18-15-4-2-1-3-14(15)16(11)19-20/h1-8,10,18H,9H2,(H2,17,21,22)
InChIKeyRZZWDEXUUCGWCA-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.11
Rot. Bonds2

About 4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide

4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide (PubChem CID 137226330) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
PubChem CID137226330
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccccc2NC3)cc1
InChIInChI=1S/C16H14N4O2S/c17-23(21,22)13-7-5-12(6-8-13)20-10-11-9-18-15-4-2-1-3-14(15)16(11)19-20/h1-8,10,18H,9H2,(H2,17,21,22)
InChIKeyRZZWDEXUUCGWCA-UHFFFAOYSA-N
XLogP2.11
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Tert-Butylbenzyl)-1,5-Dimethyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazin-8-Amine 4,4-Dioxide
CID 70698427
1-Ethyl-8-(4-Ethylphenyl)-5-Methyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71578921
1-(Benzenesulfonyl)-4-piperazin-1-ylindazole
CID 9840981
N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]prop-2-en-1-amine
CID 11706478
4-Cyclopropyl-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865253
4-(3-(4-methylphenyl)-4-cyano-1H-pyrazol-1-yl)benzenesulfonamide
CID 25227548
N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)benzyl)piperidin-1-yl)ethyl)cyclohexyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 44435096
(4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 71746395
4-[[(4aS)-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-6-yl]sulfonyl]aniline
CID 11495854
1-[(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11525591
1-[(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11533163
4-Methyl-5-(pyridin-2-ylsulfonyl)-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
CID 24864341

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide (CID 137226330) is 4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccccc2NC3)cc1.
What is the InChIKey of 4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide?
The InChIKey is RZZWDEXUUCGWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c17-23(21,22)13-7-5-12(6-8-13)20-10-11-9-18-15-4-2-1-3-14(15)16(11)19-20/h1-8,10,18H,9H2,(H2,17,21,22).
What are the key properties of 4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide?
4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide has a molecular weight of 326.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide is sourced from PubChem (CID 137226330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).