N-benzyl-4-cyano-3-methylbenzenesulfonamide

C15H14N2O2S — CID 106832859

IUPACN-benzyl-4-cyano-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccccc2)ccc1C#N
InChIInChI=1S/C15H14N2O2S/c1-12-9-15(8-7-14(12)10-16)20(18,19)17-11-13-5-3-2-4-6-13/h2-9,17H,11H2,1H3
InChIKeyJGAFHZATMAARDA-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.35
Rot. Bonds4

About N-benzyl-4-cyano-3-methylbenzenesulfonamide

N-benzyl-4-cyano-3-methylbenzenesulfonamide (PubChem CID 106832859) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-benzyl-4-cyano-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-cyano-3-methylbenzenesulfonamide
PubChem CID106832859
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-benzyl-4-cyano-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccccc2)ccc1C#N
InChIInChI=1S/C15H14N2O2S/c1-12-9-15(8-7-14(12)10-16)20(18,19)17-11-13-5-3-2-4-6-13/h2-9,17H,11H2,1H3
InChIKeyJGAFHZATMAARDA-UHFFFAOYSA-N
XLogP2.35
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-cyano-3-methylbenzenesulfonamide
CID 106832854
4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 106833060
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 106833079
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
N-but-3-ynyl-4-cyano-3-methylbenzenesulfonamide
CID 106833285
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106833452
4-cyano-3-methyl-N-octylbenzenesulfonamide
CID 106919852
4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide
CID 106833536
4-cyano-N-(2-methoxy-2-methylpropyl)-3-methylbenzenesulfonamide
CID 106833407

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-cyano-3-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-cyano-3-methylbenzenesulfonamide (CID 106832859) is N-benzyl-4-cyano-3-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-cyano-3-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-cyano-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1C#N.
What is the InChIKey of N-benzyl-4-cyano-3-methylbenzenesulfonamide?
The InChIKey is JGAFHZATMAARDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-12-9-15(8-7-14(12)10-16)20(18,19)17-11-13-5-3-2-4-6-13/h2-9,17H,11H2,1H3.
What are the key properties of N-benzyl-4-cyano-3-methylbenzenesulfonamide?
N-benzyl-4-cyano-3-methylbenzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-cyano-3-methylbenzenesulfonamide is sourced from PubChem (CID 106832859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).