N-benzyl-3-(cyanomethyl)benzenesulfonamide

C15H14N2O2S — CID 91388949

IUPACN-benzyl-3-(cyanomethyl)benzenesulfonamide
SMILESN#CCc1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C15H14N2O2S/c16-10-9-13-7-4-8-15(11-13)20(18,19)17-12-14-5-2-1-3-6-14/h1-8,11,17H,9,12H2
InChIKeyOQKVIVDTMJUHID-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.23
Rot. Bonds5

About N-benzyl-3-(cyanomethyl)benzenesulfonamide

N-benzyl-3-(cyanomethyl)benzenesulfonamide (PubChem CID 91388949) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-benzyl-3-(cyanomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-(cyanomethyl)benzenesulfonamide
PubChem CID91388949
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-benzyl-3-(cyanomethyl)benzenesulfonamide
SMILESN#CCc1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C15H14N2O2S/c16-10-9-13-7-4-8-15(11-13)20(18,19)17-12-14-5-2-1-3-6-14/h1-8,11,17H,9,12H2
InChIKeyOQKVIVDTMJUHID-UHFFFAOYSA-N
XLogP2.23
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-(cyanomethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
N-benzyl-2-(cyanomethyl)benzenesulfonamide
CID 90959360
N-benzyl-4-cyano-3-methylbenzenesulfonamide
CID 106832859
N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide
CID 81258729
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide
CID 43589421
3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232055
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
3-[3-(benzylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019640
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100796723
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(cyanomethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-3-(cyanomethyl)benzenesulfonamide (CID 91388949) is N-benzyl-3-(cyanomethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-(cyanomethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-3-(cyanomethyl)benzenesulfonamide is N#CCc1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-(cyanomethyl)benzenesulfonamide?
The InChIKey is OQKVIVDTMJUHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-10-9-13-7-4-8-15(11-13)20(18,19)17-12-14-5-2-1-3-6-14/h1-8,11,17H,9,12H2.
What are the key properties of N-benzyl-3-(cyanomethyl)benzenesulfonamide?
N-benzyl-3-(cyanomethyl)benzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(cyanomethyl)benzenesulfonamide is sourced from PubChem (CID 91388949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).