2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide

C14H17ClN2O2S — CID 80703898

IUPAC2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCC1
InChIInChI=1S/C14H17ClN2O2S/c1-10(12-4-2-3-5-12)17-20(18,19)14-8-11(9-16)6-7-13(14)15/h6-8,10,12,17H,2-5H2,1H3
InChIKeyUMHUGLPDVODWDX-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.07
Rot. Bonds4

About 2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide

2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide (PubChem CID 80703898) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
PubChem CID80703898
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCC1
InChIInChI=1S/C14H17ClN2O2S/c1-10(12-4-2-3-5-12)17-20(18,19)14-8-11(9-16)6-7-13(14)15/h6-8,10,12,17H,2-5H2,1H3
InChIKeyUMHUGLPDVODWDX-UHFFFAOYSA-N
XLogP3.07
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-cyano-N-(1-cyclopentylethyl)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

2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
CID 103988900
2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3311116
N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704769
2-chloro-5-cyano-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 80704766
2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 103989534
N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 106737922
2-chloro-5-cyano-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 104918937
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937
2-chloro-5-cyano-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 80704020
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267
2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868959
2-chloro-5-cyano-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 80703952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide (CID 80703898) is 2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCC1.
What is the InChIKey of 2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide?
The InChIKey is UMHUGLPDVODWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-10(12-4-2-3-5-12)17-20(18,19)14-8-11(9-16)6-7-13(14)15/h6-8,10,12,17H,2-5H2,1H3.
What are the key properties of 2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide?
2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide has a molecular weight of 312.82 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide is sourced from PubChem (CID 80703898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).