3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide

C12H12N4O2S — CID 24690798

IUPAC3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(C)n1
InChIInChI=1S/C12H12N4O2S/c1-9-6-12(16(2)14-9)15-19(17,18)11-5-3-4-10(7-11)8-13/h3-7,15H,1-2H3
InChIKeySJASWHCIKSECRI-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.40
Rot. Bonds3

About 3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide

3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide (PubChem CID 24690798) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
PubChem CID24690798
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(C)n1
InChIInChI=1S/C12H12N4O2S/c1-9-6-12(16(2)14-9)15-19(17,18)11-5-3-4-10(7-11)8-13/h3-7,15H,1-2H3
InChIKeySJASWHCIKSECRI-UHFFFAOYSA-N
XLogP1.40
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide
CID 139011543
3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 39330963
5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-iodobenzoic acid
CID 103962212
3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide
CID 3790516
N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide
CID 43318275
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
1-[(3-cyanophenyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47198183
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
3-amino-4-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 29030763
3-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872695

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide (CID 24690798) is 3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(C)n1.
What is the InChIKey of 3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is SJASWHCIKSECRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-9-6-12(16(2)14-9)15-19(17,18)11-5-3-4-10(7-11)8-13/h3-7,15H,1-2H3.
What are the key properties of 3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide?
3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 24690798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).