4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide

C13H16N2O2S — CID 115672016

IUPAC4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide
SMILESCN(C1CCC1)S(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C13H16N2O2S/c1-15(12-3-2-4-12)18(16,17)13-7-5-11(6-8-13)9-10-14/h5-8,12H,2-4,9H2,1H3
InChIKeyJYXDSJRKXQFRRI-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.93
Rot. Bonds4

About 4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide

4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide (PubChem CID 115672016) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide
PubChem CID115672016
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide
SMILESCN(C1CCC1)S(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C13H16N2O2S/c1-15(12-3-2-4-12)18(16,17)13-7-5-11(6-8-13)9-10-14/h5-8,12H,2-4,9H2,1H3
InChIKeyJYXDSJRKXQFRRI-UHFFFAOYSA-N
XLogP1.93
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide 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

4-(cyanomethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 79477174
4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650712
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
CID 18129528
N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 112820136
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
N-(1-cyanoethyl)-4-(cyanomethyl)-N-methylbenzenesulfonamide
CID 79186235
methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
CID 115650746
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
4-(cyanomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 79195632
4-(cyanomethyl)-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230211
4-(cyanomethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 79184931

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide (CID 115672016) is 4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide is CN(C1CCC1)S(=O)(=O)c1ccc(CC#N)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide?
The InChIKey is JYXDSJRKXQFRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-15(12-3-2-4-12)18(16,17)13-7-5-11(6-8-13)9-10-14/h5-8,12H,2-4,9H2,1H3.
What are the key properties of 4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide?
4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 115672016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).