2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide

C21H17N3O2S — CID 173207476

IUPAC2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1nn(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C21H17N3O2S/c22-27(25,26)20-14-8-7-13-18(20)21-19(16-9-3-1-4-10-16)15-24(23-21)17-11-5-2-6-12-17/h1-15H,(H2,22,25,26)
InChIKeyKDCPDBHLMHJCPJ-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.85
Rot. Bonds4

About 2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide

2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 173207476) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide
PubChem CID173207476
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1nn(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C21H17N3O2S/c22-27(25,26)20-14-8-7-13-18(20)21-19(16-9-3-1-4-10-16)15-24(23-21)17-11-5-2-6-12-17/h1-15H,(H2,22,25,26)
InChIKeyKDCPDBHLMHJCPJ-UHFFFAOYSA-N
XLogP3.85
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4a-(piperidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11562491
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
4-(4-Chloro-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 9880758
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
(4aS)-4a-benzyl-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11541310
(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4a-(pyrrolidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11656415
1-(4-Fluorophenyl)-4a-[(4-fluorophenyl)methyl]-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454503
(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454504

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide (CID 173207476) is 2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1nn(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is KDCPDBHLMHJCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c22-27(25,26)20-14-8-7-13-18(20)21-19(16-9-3-1-4-10-16)15-24(23-21)17-11-5-2-6-12-17/h1-15H,(H2,22,25,26).
What are the key properties of 2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide?
2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 173207476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).