5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride

C13H16BrClO3S — CID 64747891

IUPAC5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride
SMILESCC1CCC(Oc2ccc(Br)cc2S(=O)(=O)Cl)CC1
InChIInChI=1S/C13H16BrClO3S/c1-9-2-5-11(6-3-9)18-12-7-4-10(14)8-13(12)19(15,16)17/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeyFZZKHHUFMWATDW-UHFFFAOYSA-N
MW367.69 g/mol
LogP4.33
Rot. Bonds3

About 5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride

5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride (PubChem CID 64747891) has the molecular formula C13H16BrClO3S and a molecular weight of 367.69 g/mol. Its IUPAC name is 5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride
PubChem CID64747891
Molecular FormulaC13H16BrClO3S
Molecular Weight367.69 g/mol
Exact Mass365.97
IUPAC Name5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride
SMILESCC1CCC(Oc2ccc(Br)cc2S(=O)(=O)Cl)CC1
InChIInChI=1S/C13H16BrClO3S/c1-9-2-5-11(6-3-9)18-12-7-4-10(14)8-13(12)19(15,16)17/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeyFZZKHHUFMWATDW-UHFFFAOYSA-N
XLogP4.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.69
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride 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 5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride (CID 64747891) is 5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride is CC1CCC(Oc2ccc(Br)cc2S(=O)(=O)Cl)CC1.
What is the InChIKey of 5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride?
The InChIKey is FZZKHHUFMWATDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClO3S/c1-9-2-5-11(6-3-9)18-12-7-4-10(14)8-13(12)19(15,16)17/h4,7-9,11H,2-3,5-6H2,1H3.
What are the key properties of 5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride?
5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride has a molecular weight of 367.69 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride is sourced from PubChem (CID 64747891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).