3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide

C15H11N3O2S — CID 62982247

IUPAC3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H11N3O2S/c1-18(14-7-5-12(10-16)6-8-14)21(19,20)15-4-2-3-13(9-15)11-17/h2-9H,1H3
InChIKeyGPGLSRRXAIJURE-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.26
Rot. Bonds3

About 3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide

3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide (PubChem CID 62982247) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
PubChem CID62982247
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H11N3O2S/c1-18(14-7-5-12(10-16)6-8-14)21(19,20)15-4-2-3-13(9-15)11-17/h2-9H,1H3
InChIKeyGPGLSRRXAIJURE-UHFFFAOYSA-N
XLogP2.26
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide
CID 62982630
3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 106605814
4-bromo-N-(4-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107650281
4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001878
3-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43429214
N-(4-cyanophenyl)-3-[methyl-(4-methylsulfonylphenyl)sulfamoyl]benzamide
CID 90342533
2-[(3-cyanophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55123589
N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide
CID 62685886
3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
CID 18121874
N-(4-cyanophenyl)-3-[methyl-(4-methylsulfinylphenyl)sulfamoyl]benzamide
CID 90342490
4-[(4-cyanophenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62981433
3-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 47306005

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide (CID 62982247) is 3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide is CN(c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide?
The InChIKey is GPGLSRRXAIJURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c1-18(14-7-5-12(10-16)6-8-14)21(19,20)15-4-2-3-13(9-15)11-17/h2-9H,1H3.
What are the key properties of 3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide?
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62982247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).