2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide

C13H17Cl2NO2S — CID 710741

IUPAC2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-9-10(14)7-8-12(13)15/h7-9,11H,2-6H2,1H3
InChIKeyOGKIQNBLJJQJBU-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.95
Rot. Bonds3

About 2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide

2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide (PubChem CID 710741) has the molecular formula C13H17Cl2NO2S and a molecular weight of 322.26 g/mol. Its IUPAC name is 2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
PubChem CID710741
Molecular FormulaC13H17Cl2NO2S
Molecular Weight322.26 g/mol
Exact Mass321.04
IUPAC Name2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-9-10(14)7-8-12(13)15/h7-9,11H,2-6H2,1H3
InChIKeyOGKIQNBLJJQJBU-UHFFFAOYSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dichloro-N-cyclohexyl-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

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide (CID 710741) is 2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide?
The InChIKey is OGKIQNBLJJQJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-9-10(14)7-8-12(13)15/h7-9,11H,2-6H2,1H3.
What are the key properties of 2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide?
2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide has a molecular weight of 322.26 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 710741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).