2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone

C14H18O4S — CID 134935869

IUPAC2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone
SMILESO=C(C1CCCCC1)C(O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18O4S/c15-13(11-7-3-1-4-8-11)14(16)19(17,18)12-9-5-2-6-10-12/h2,5-6,9-11,14,16H,1,3-4,7-8H2
InChIKeyZSWUSRJWMNZXAP-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.93
Rot. Bonds4

About 2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone

2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone (PubChem CID 134935869) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone
PubChem CID134935869
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone
SMILESO=C(C1CCCCC1)C(O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18O4S/c15-13(11-7-3-1-4-8-11)14(16)19(17,18)12-9-5-2-6-10-12/h2,5-6,9-11,14,16H,1,3-4,7-8H2
InChIKeyZSWUSRJWMNZXAP-UHFFFAOYSA-N
XLogP1.93
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone 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

1-Hydroxy-2-oxo-2-(4-phenylsulfanylphenyl)ethanesulfonic acid
CID 5273931
(4-Benzenesulfonyl-phenyl)-oxo-acetaldehyde, bisulfite
CID 5273932
3-(Benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one
CID 10989906
(1R)-2-(benzenesulfonyl)-1-cyclohexylethanol
CID 12958388
2-(Benzenesulfonyl)-1-cyclohexylethanone
CID 13979946
2-(Benzenesulfonyl)-2-fluoro-2-(3-oxocyclohexyl)acetic acid
CID 141123709
2-(3-Fluorophenyl)sulfonyl-2-(3-oxocyclohexyl)acetic acid
CID 153795466
2-(4-Fluorophenyl)sulfonyl-2-(3-oxocyclohexyl)acetic acid
CID 172716484
2-(3,4-Difluorophenyl)sulfonyl-2-(3-oxocyclohexyl)acetic acid
CID 177730436
1-(2-Hydroxycyclohexyl)-1-phenylsulfanylpropan-2-one
CID 10730352
2-(Benzenesulfonyl)-1-cyclohexylethanol
CID 12958387
7-(Benzenesulfonyl)-6-hydroxy-1-phenylheptan-1-one
CID 13435927

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone (CID 134935869) is 2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone is O=C(C1CCCCC1)C(O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone?
The InChIKey is ZSWUSRJWMNZXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S/c15-13(11-7-3-1-4-8-11)14(16)19(17,18)12-9-5-2-6-10-12/h2,5-6,9-11,14,16H,1,3-4,7-8H2.
What are the key properties of 2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone?
2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone has a molecular weight of 282.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-cyclohexyl-2-hydroxyethanone is sourced from PubChem (CID 134935869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).