4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide

C16H13N5O2S — CID 90285799

IUPAC4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C16H13N5O2S/c1-12-6-8-18-16(10-12)21-15(7-9-19-21)20-24(22,23)14-4-2-13(11-17)3-5-14/h2-10,20H,1H3
InChIKeyPDLYMYGATFSPBD-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.25
Rot. Bonds4

About 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide

4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 90285799) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID90285799
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C16H13N5O2S/c1-12-6-8-18-16(10-12)21-15(7-9-19-21)20-24(22,23)14-4-2-13(11-17)3-5-14/h2-10,20H,1H3
InChIKeyPDLYMYGATFSPBD-UHFFFAOYSA-N
XLogP2.25
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 10245060
N,4-Dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 447297
N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 76685194
3-cyano-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 9508066
N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
6-(4-cyano-3-(difluoromethyl)-5-((cis)-3,5-dimethylpiperidin-1-yl)-1H-pyrazol-1-yl)pyridine-3-sulfonamide
CID 10112226
4-Allyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 11013215
6-(4-cyano-5-(neopentylamino)-3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine-3-sulfonamide
CID 44406358
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide
CID 44621440
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide
CID 44621442
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylpyridine-3-sulfonamide
CID 44621447
5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide
CID 44621456

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide (CID 90285799) is 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide is Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is PDLYMYGATFSPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-12-6-8-18-16(10-12)21-15(7-9-19-21)20-24(22,23)14-4-2-13(11-17)3-5-14/h2-10,20H,1H3.
What are the key properties of 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide?
4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 90285799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).