4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol

C14H19BrO3S — CID 58344216

IUPAC4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(CS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrO3S/c1-14(16)8-6-11(7-9-14)10-19(17,18)13-4-2-12(15)3-5-13/h2-5,11,16H,6-10H2,1H3
InChIKeyWFLDXYJPRGNJEL-UHFFFAOYSA-N
MW347.27 g/mol
LogP3.16
Rot. Bonds3

About 4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol

4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol (PubChem CID 58344216) has the molecular formula C14H19BrO3S and a molecular weight of 347.27 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol
PubChem CID58344216
Molecular FormulaC14H19BrO3S
Molecular Weight347.27 g/mol
Exact Mass346.02
IUPAC Name4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(CS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrO3S/c1-14(16)8-6-11(7-9-14)10-19(17,18)13-4-2-12(15)3-5-13/h2-5,11,16H,6-10H2,1H3
InChIKeyWFLDXYJPRGNJEL-UHFFFAOYSA-N
XLogP3.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-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 4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol (CID 58344216) is 4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol is CC1(O)CCC(CS(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol?
The InChIKey is WFLDXYJPRGNJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO3S/c1-14(16)8-6-11(7-9-14)10-19(17,18)13-4-2-12(15)3-5-13/h2-5,11,16H,6-10H2,1H3.
What are the key properties of 4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol?
4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol has a molecular weight of 347.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfonylmethyl]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 58344216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).