3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide

C15H21NO3S — CID 4885041

IUPAC3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC2CCCCC2)c1
InChIInChI=1S/C15H21NO3S/c1-12(17)14-8-5-9-15(10-14)20(18,19)16-11-13-6-3-2-4-7-13/h5,8-10,13,16H,2-4,6-7,11H2,1H3
InChIKeyTWGNLGHDJVAEHQ-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.75
Rot. Bonds5

About 3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide

3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide (PubChem CID 4885041) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide
PubChem CID4885041
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC2CCCCC2)c1
InChIInChI=1S/C15H21NO3S/c1-12(17)14-8-5-9-15(10-14)20(18,19)16-11-13-6-3-2-4-7-13/h5,8-10,13,16H,2-4,6-7,11H2,1H3
InChIKeyTWGNLGHDJVAEHQ-UHFFFAOYSA-N
XLogP2.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide 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 3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide (CID 4885041) is 3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCC2CCCCC2)c1.
What is the InChIKey of 3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide?
The InChIKey is TWGNLGHDJVAEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12(17)14-8-5-9-15(10-14)20(18,19)16-11-13-6-3-2-4-7-13/h5,8-10,13,16H,2-4,6-7,11H2,1H3.
What are the key properties of 3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide?
3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide is sourced from PubChem (CID 4885041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).