2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide

C13H17ClFNO3S — CID 84591517

IUPAC2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(O)CC2)c(Cl)cc1F
InChIInChI=1S/C13H17ClFNO3S/c1-8-6-13(11(14)7-12(8)15)20(18,19)16-9-2-4-10(17)5-3-9/h6-7,9-10,16-17H,2-5H2,1H3
InChIKeyKWWAOWPNEICMID-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.37
Rot. Bonds3

About 2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide

2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide (PubChem CID 84591517) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide
PubChem CID84591517
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(O)CC2)c(Cl)cc1F
InChIInChI=1S/C13H17ClFNO3S/c1-8-6-13(11(14)7-12(8)15)20(18,19)16-9-2-4-10(17)5-3-9/h6-7,9-10,16-17H,2-5H2,1H3
InChIKeyKWWAOWPNEICMID-UHFFFAOYSA-N
XLogP2.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-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-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide (CID 84591517) is 2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCC(O)CC2)c(Cl)cc1F.
What is the InChIKey of 2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide?
The InChIKey is KWWAOWPNEICMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c1-8-6-13(11(14)7-12(8)15)20(18,19)16-9-2-4-10(17)5-3-9/h6-7,9-10,16-17H,2-5H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide?
2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide has a molecular weight of 321.80 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 84591517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).