N-(2-cyanophenyl)-4-methylbenzenesulfonamide

C14H12N2O2S — CID 561404

IUPACN-(2-cyanophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C14H12N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-14-5-3-2-4-12(14)10-15/h2-9,16H,1H3
InChIKeyAEWAFLUKJFIWDP-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.67
Rot. Bonds3

About N-(2-cyanophenyl)-4-methylbenzenesulfonamide

N-(2-cyanophenyl)-4-methylbenzenesulfonamide (PubChem CID 561404) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-methylbenzenesulfonamide
PubChem CID561404
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-(2-cyanophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C14H12N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-14-5-3-2-4-12(14)10-15/h2-9,16H,1H3
InChIKeyAEWAFLUKJFIWDP-UHFFFAOYSA-N
XLogP2.67
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyanophenyl)-4-methylbenzenesulfonamide (CID 561404) is N-(2-cyanophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyanophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of N-(2-cyanophenyl)-4-methylbenzenesulfonamide?
The InChIKey is AEWAFLUKJFIWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-14-5-3-2-4-12(14)10-15/h2-9,16H,1H3.
What are the key properties of N-(2-cyanophenyl)-4-methylbenzenesulfonamide?
N-(2-cyanophenyl)-4-methylbenzenesulfonamide has a molecular weight of 272.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 561404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).