4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide

C17H16N4O2S — CID 137226331

IUPAC4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
SMILESCc1ccc2c(c1)NCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2
InChIInChI=1S/C17H16N4O2S/c1-11-2-7-15-16(8-11)19-9-12-10-21(20-17(12)15)13-3-5-14(6-4-13)24(18,22)23/h2-8,10,19H,9H2,1H3,(H2,18,22,23)
InChIKeyPVVGDCFBUHYVLG-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.42
Rot. Bonds2

About 4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide

4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide (PubChem CID 137226331) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
PubChem CID137226331
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
SMILESCc1ccc2c(c1)NCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2
InChIInChI=1S/C17H16N4O2S/c1-11-2-7-15-16(8-11)19-9-12-10-21(20-17(12)15)13-3-5-14(6-4-13)24(18,22)23/h2-8,10,19H,9H2,1H3,(H2,18,22,23)
InChIKeyPVVGDCFBUHYVLG-UHFFFAOYSA-N
XLogP2.42
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.42
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
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-(3-(4-methylphenyl)-4-cyano-1H-pyrazol-1-yl)benzenesulfonamide
CID 25227548
8-(4-Ethylphenyl)-5-Methyl-2,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71568837
4-[[(4aS)-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-6-yl]sulfonyl]aniline
CID 11495854
4-Methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864527
4-[(4-Cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline
CID 24865993
N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]propan-2-amine
CID 44454624
N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]ethanamine
CID 44454647
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 5497333
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 5508897

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide (CID 137226331) is 4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide is Cc1ccc2c(c1)NCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2.
What is the InChIKey of 4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide?
The InChIKey is PVVGDCFBUHYVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-2-7-15-16(8-11)19-9-12-10-21(20-17(12)15)13-3-5-14(6-4-13)24(18,22)23/h2-8,10,19H,9H2,1H3,(H2,18,22,23).
What are the key properties of 4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide?
4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide has a molecular weight of 340.41 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide is sourced from PubChem (CID 137226331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).