4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide

C16H23NO3S — CID 61059370

IUPAC4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C16H23NO3S/c1-3-13-4-8-15(9-5-13)17-21(19,20)16-10-6-14(7-11-16)12(2)18/h6-7,10-11,13,15,17H,3-5,8-9H2,1-2H3
InChIKeyIWAGEUBLFUQLSF-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.14
Rot. Bonds5

About 4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide

4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide (PubChem CID 61059370) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
PubChem CID61059370
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C16H23NO3S/c1-3-13-4-8-15(9-5-13)17-21(19,20)16-10-6-14(7-11-16)12(2)18/h6-7,10-11,13,15,17H,3-5,8-9H2,1-2H3
InChIKeyIWAGEUBLFUQLSF-UHFFFAOYSA-N
XLogP3.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide
CID 124741486
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916419
4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 61068578
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874696
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride
CID 119970613

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide (CID 61059370) is 4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide is CCC1CCC(NS(=O)(=O)c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide?
The InChIKey is IWAGEUBLFUQLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-3-13-4-8-15(9-5-13)17-21(19,20)16-10-6-14(7-11-16)12(2)18/h6-7,10-11,13,15,17H,3-5,8-9H2,1-2H3.
What are the key properties of 4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide?
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 61059370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).