4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide

C14H13N3O2S — CID 79185274

IUPAC4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(CC#N)cc2)c1
InChIInChI=1S/C14H13N3O2S/c1-11-7-9-16-14(10-11)17-20(18,19)13-4-2-12(3-5-13)6-8-15/h2-5,7,9-10H,6H2,1H3,(H,16,17)
InChIKeyXWWKYWTVNLYWCC-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.26
Rot. Bonds4

About 4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide

4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 79185274) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID79185274
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(CC#N)cc2)c1
InChIInChI=1S/C14H13N3O2S/c1-11-7-9-16-14(10-11)17-20(18,19)13-4-2-12(3-5-13)6-8-15/h2-5,7,9-10H,6H2,1H3,(H,16,17)
InChIKeyXWWKYWTVNLYWCC-UHFFFAOYSA-N
XLogP2.26
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyanomethyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 79186466
4-(cyanomethyl)-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 79185670
4-[(4-methyl-2-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 30053774
4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 71671396
4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 850130
3-[[4-(cyanomethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 79184901
1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
CID 35141950
N-(4-bromo-2-methylphenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79186001
4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 165434224
2,3,5,6-tetramethyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 6462198
4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide
CID 114279820
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide (CID 79185274) is 4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(CC#N)cc2)c1.
What is the InChIKey of 4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is XWWKYWTVNLYWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-11-7-9-16-14(10-11)17-20(18,19)13-4-2-12(3-5-13)6-8-15/h2-5,7,9-10H,6H2,1H3,(H,16,17).
What are the key properties of 4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 79185274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).