2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

C19H18N4O2S — CID 9191234

IUPAC2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C19H18N4O2S/c1-14-18(15(2)23(22-14)17-9-4-3-5-10-17)13-21-26(24,25)19-11-7-6-8-16(19)12-20/h3-11,21H,13H2,1-2H3
InChIKeyLQNBBJFGNDYTJW-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.84
Rot. Bonds5

About 2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 9191234) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID9191234
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C19H18N4O2S/c1-14-18(15(2)23(22-14)17-9-4-3-5-10-17)13-21-26(24,25)19-11-7-6-8-16(19)12-20/h3-11,21H,13H2,1-2H3
InChIKeyLQNBBJFGNDYTJW-UHFFFAOYSA-N
XLogP2.84
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
CID 35524432
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 7028274
2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191229
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 7028073
2-cyano-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642217
6-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 9191231
3-acetyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191226
2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 110782386
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 110716861
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
CID 110873488

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide (CID 9191234) is 2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is LQNBBJFGNDYTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-14-18(15(2)23(22-14)17-9-4-3-5-10-17)13-21-26(24,25)19-11-7-6-8-16(19)12-20/h3-11,21H,13H2,1-2H3.
What are the key properties of 2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 366.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 9191234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).