N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide

C15H14N2O2S — CID 2098329

IUPACN-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C15H14N2O2S/c1-11-6-7-12(2)15(8-11)20(18,19)17-14-5-3-4-13(9-14)10-16/h3-9,17H,1-2H3
InChIKeyVEWOLQGBXUAYNV-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.98
Rot. Bonds3

About N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide

N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 2098329) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID2098329
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C15H14N2O2S/c1-11-6-7-12(2)15(8-11)20(18,19)17-14-5-3-4-13(9-14)10-16/h3-9,17H,1-2H3
InChIKeyVEWOLQGBXUAYNV-UHFFFAOYSA-N
XLogP2.98
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide
CID 80711667
3-[(5-cyano-2-methylphenyl)sulfonylamino]benzoic acid
CID 167981446
N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 46345289
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
methyl 2-[(3-cyanophenyl)sulfamoyl]-6-methylbenzoate
CID 49186745
2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
CID 43452384
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 103739261
4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
CID 43257540
3-[(2,5-dimethylphenyl)sulfonylmethyl]benzonitrile
CID 60731180
N-(3-ethynylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 16962790

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide (CID 2098329) is N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is VEWOLQGBXUAYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-6-7-12(2)15(8-11)20(18,19)17-14-5-3-4-13(9-14)10-16/h3-9,17H,1-2H3.
What are the key properties of N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide?
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2098329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).