3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide

C16H23NO3S — CID 64741564

IUPAC3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2CCC(C)C(C)C2)c1
InChIInChI=1S/C16H23NO3S/c1-11-7-8-15(9-12(11)2)17-21(19,20)16-6-4-5-14(10-16)13(3)18/h4-6,10-12,15,17H,7-9H2,1-3H3
InChIKeyJDWWFMOZEXSIAK-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.99
Rot. Bonds4

About 3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide

3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 64741564) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
PubChem CID64741564
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2CCC(C)C(C)C2)c1
InChIInChI=1S/C16H23NO3S/c1-11-7-8-15(9-12(11)2)17-21(19,20)16-6-4-5-14(10-16)13(3)18/h4-6,10-12,15,17H,7-9H2,1-3H3
InChIKeyJDWWFMOZEXSIAK-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

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Related Compounds

3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 103082265
3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43081984
3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964549
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide
CID 64743154
3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 61234303
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51204299
4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 64741708
4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741660
3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64734342
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
3-[(3-methylcyclobutyl)sulfamoyl]benzenecarbothioamide
CID 113467242

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide (CID 64741564) is 3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC2CCC(C)C(C)C2)c1.
What is the InChIKey of 3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is JDWWFMOZEXSIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-11-7-8-15(9-12(11)2)17-21(19,20)16-6-4-5-14(10-16)13(3)18/h4-6,10-12,15,17H,7-9H2,1-3H3.
What are the key properties of 3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
3-acetyl-N-(3,4-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-(3,4-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 64741564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).