2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide

C16H24ClNO3S — CID 32679937

IUPAC2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCOC2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H24ClNO3S/c1-13-8-9-16(15(17)12-13)22(19,20)18-10-5-11-21-14-6-3-2-4-7-14/h8-9,12,14,18H,2-7,10-11H2,1H3
InChIKeyBLDVEBBXIHOJSO-UHFFFAOYSA-N
MW345.89 g/mol
LogP3.67
Rot. Bonds7

About 2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide

2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide (PubChem CID 32679937) has the molecular formula C16H24ClNO3S and a molecular weight of 345.89 g/mol. Its IUPAC name is 2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide
PubChem CID32679937
Molecular FormulaC16H24ClNO3S
Molecular Weight345.89 g/mol
Exact Mass345.12
IUPAC Name2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCOC2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H24ClNO3S/c1-13-8-9-16(15(17)12-13)22(19,20)18-10-5-11-21-14-6-3-2-4-7-14/h8-9,12,14,18H,2-7,10-11H2,1H3
InChIKeyBLDVEBBXIHOJSO-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.89
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-(3-cyclohexyloxypropyl)-4-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-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide (CID 32679937) is 2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCOC2CCCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide?
The InChIKey is BLDVEBBXIHOJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3S/c1-13-8-9-16(15(17)12-13)22(19,20)18-10-5-11-21-14-6-3-2-4-7-14/h8-9,12,14,18H,2-7,10-11H2,1H3.
What are the key properties of 2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide?
2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide has a molecular weight of 345.89 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 32679937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).