3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide

C12H16ClNO3S — CID 961791

IUPAC3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl
InChIInChI=1S/C12H16ClNO3S/c1-17-12-7-6-10(8-11(12)13)18(15,16)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3
InChIKeySLFAPUFKQIQCLJ-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.57
Rot. Bonds4

About 3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide

3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide (PubChem CID 961791) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide
PubChem CID961791
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl
InChIInChI=1S/C12H16ClNO3S/c1-17-12-7-6-10(8-11(12)13)18(15,16)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3
InChIKeySLFAPUFKQIQCLJ-UHFFFAOYSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide 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

3-Chloro-4-methoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2963993
2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 893896
4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 934688
4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide
CID 934975
4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide
CID 1256631
4-chloro-N-isopropyl-3-methoxybenzenesulfonamide
CID 1257337
2,3-dichloro-4-methoxy-N-propylbenzenesulfonamide
CID 1815765
N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide
CID 2198487
N-[2-(tert-butylthio)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 2228276
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 2240865
4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2978623
3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 974264

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide (CID 961791) is 3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl.
What is the InChIKey of 3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide?
The InChIKey is SLFAPUFKQIQCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-17-12-7-6-10(8-11(12)13)18(15,16)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3.
What are the key properties of 3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide?
3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide has a molecular weight of 289.78 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 961791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).