2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol

C15H22O3S — CID 62917891

IUPAC2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H22O3S/c1-11(2)12-8-9-14(16)15(10-12)19(17,18)13-6-4-3-5-7-13/h3-7,11-12,14-16H,8-10H2,1-2H3
InChIKeyPPQSAHJWUCLEEH-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.65
Rot. Bonds3

About 2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol

2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62917891) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID62917891
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H22O3S/c1-11(2)12-8-9-14(16)15(10-12)19(17,18)13-6-4-3-5-7-13/h3-7,11-12,14-16H,8-10H2,1-2H3
InChIKeyPPQSAHJWUCLEEH-UHFFFAOYSA-N
XLogP2.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol (CID 62917891) is 2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is PPQSAHJWUCLEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-11(2)12-8-9-14(16)15(10-12)19(17,18)13-6-4-3-5-7-13/h3-7,11-12,14-16H,8-10H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol?
2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 282.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62917891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).