4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide

C14H19NO4S — CID 61068578

IUPAC4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCCC(O)C2)cc1
InChIInChI=1S/C14H19NO4S/c1-10(16)11-5-7-14(8-6-11)20(18,19)15-12-3-2-4-13(17)9-12/h5-8,12-13,15,17H,2-4,9H2,1H3
InChIKeyAQLNERYXCFFLGI-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.47
Rot. Bonds4

About 4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide

4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 61068578) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
PubChem CID61068578
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCCC(O)C2)cc1
InChIInChI=1S/C14H19NO4S/c1-10(16)11-5-7-14(8-6-11)20(18,19)15-12-3-2-4-13(17)9-12/h5-8,12-13,15,17H,2-4,9H2,1H3
InChIKeyAQLNERYXCFFLGI-UHFFFAOYSA-N
XLogP1.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide
CID 124741486
4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide
CID 106444263
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
3-chloro-4-fluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984027
4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide
CID 95318002
trans-(1R,3R)-3-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 6943892
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64669034
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide (CID 61068578) is 4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC2CCCC(O)C2)cc1.
What is the InChIKey of 4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is AQLNERYXCFFLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10(16)11-5-7-14(8-6-11)20(18,19)15-12-3-2-4-13(17)9-12/h5-8,12-13,15,17H,2-4,9H2,1H3.
What are the key properties of 4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide?
4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 61068578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).