2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide

C12H15Cl2NO3S — CID 893896

IUPAC2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCC2)c(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO3S/c1-18-9-6-7-10(12(14)11(9)13)19(16,17)15-8-4-2-3-5-8/h6-8,15H,2-5H2,1H3
InChIKeyOJNHHAODNWLQLM-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.22
Rot. Bonds4

About 2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide

2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide (PubChem CID 893896) has the molecular formula C12H15Cl2NO3S and a molecular weight of 324.23 g/mol. Its IUPAC name is 2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide
PubChem CID893896
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.23 g/mol
Exact Mass323.01
IUPAC Name2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCC2)c(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO3S/c1-18-9-6-7-10(12(14)11(9)13)19(16,17)15-8-4-2-3-5-8/h6-8,15H,2-5H2,1H3
InChIKeyOJNHHAODNWLQLM-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-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

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide (CID 893896) is 2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCC2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide?
The InChIKey is OJNHHAODNWLQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3S/c1-18-9-6-7-10(12(14)11(9)13)19(16,17)15-8-4-2-3-5-8/h6-8,15H,2-5H2,1H3.
What are the key properties of 2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide?
2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide has a molecular weight of 324.23 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 893896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).