2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C17H26O3S — CID 62916353

IUPAC2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H26O3S/c1-4-17(2,3)13-10-11-15(18)16(12-13)21(19,20)14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3
InChIKeyAJBGDDOEBNAUPH-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.43
Rot. Bonds4

About 2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 62916353) has the molecular formula C17H26O3S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID62916353
Molecular FormulaC17H26O3S
Molecular Weight310.46 g/mol
Exact Mass310.16
IUPAC Name2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H26O3S/c1-4-17(2,3)13-10-11-15(18)16(12-13)21(19,20)14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3
InChIKeyAJBGDDOEBNAUPH-UHFFFAOYSA-N
XLogP3.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 62916353) is 2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)C(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is AJBGDDOEBNAUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3S/c1-4-17(2,3)13-10-11-15(18)16(12-13)21(19,20)14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3.
What are the key properties of 2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 310.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 62916353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).