3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide

C16H23NO3S — CID 43081984

IUPAC3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2CCCC(C)C2C)c1
InChIInChI=1S/C16H23NO3S/c1-11-6-4-9-16(12(11)2)17-21(19,20)15-8-5-7-14(10-15)13(3)18/h5,7-8,10-12,16-17H,4,6,9H2,1-3H3
InChIKeyVZOLECWEKHIILU-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.99
Rot. Bonds4

About 3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide

3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 43081984) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
PubChem CID43081984
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2CCCC(C)C2C)c1
InChIInChI=1S/C16H23NO3S/c1-11-6-4-9-16(12(11)2)17-21(19,20)15-8-5-7-14(10-15)13(3)18/h5,7-8,10-12,16-17H,4,6,9H2,1-3H3
InChIKeyVZOLECWEKHIILU-UHFFFAOYSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]sulfamoyl]benzoate
CID 11916136
3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43176217
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-acetylbenzenesulfonamide
CID 100838682
3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741564
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 61234303
4-[(2,3-dimethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 43102649
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-sulfonamide
CID 55044375
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2366412
3-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]benzoic acid
CID 107216276
N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 64922458

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide (CID 43081984) is 3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC2CCCC(C)C2C)c1.
What is the InChIKey of 3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is VZOLECWEKHIILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-11-6-4-9-16(12(11)2)17-21(19,20)15-8-5-7-14(10-15)13(3)18/h5,7-8,10-12,16-17H,4,6,9H2,1-3H3.
What are the key properties of 3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide?
3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 43081984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).