N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide

C15H14N2O2S — CID 26969626

IUPACN-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1C
InChIInChI=1S/C15H14N2O2S/c1-11-3-8-15(9-12(11)2)20(18,19)17-14-6-4-13(10-16)5-7-14/h3-9,17H,1-2H3
InChIKeyVFCTWHGSXHJGPK-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.98
Rot. Bonds3

About N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide

N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 26969626) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID26969626
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1C
InChIInChI=1S/C15H14N2O2S/c1-11-3-8-15(9-12(11)2)20(18,19)17-14-6-4-13(10-16)5-7-14/h3-9,17H,1-2H3
InChIKeyVFCTWHGSXHJGPK-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

N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195
4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 8501259
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 62354753
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
N-[4-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65031273
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695
N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760223
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326514
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide (CID 26969626) is N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1C.
What is the InChIKey of N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is VFCTWHGSXHJGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-3-8-15(9-12(11)2)20(18,19)17-14-6-4-13(10-16)5-7-14/h3-9,17H,1-2H3.
What are the key properties of N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide?
N-(4-cyanophenyl)-3,4-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-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 26969626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).