2-(4-methoxyphenyl)ethanesulfonyl chloride

C9H11ClO3S — CID 13237409

IUPAC2-(4-methoxyphenyl)ethanesulfonyl chloride
SMILESCOc1ccc(CCS(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClO3S/c1-13-9-4-2-8(3-5-9)6-7-14(10,11)12/h2-5H,6-7H2,1H3
InChIKeySXSSVXAEIXMJIJ-UHFFFAOYSA-N
MW234.70 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-methoxyphenyl)ethanesulfonyl chloride

2-(4-methoxyphenyl)ethanesulfonyl chloride (PubChem CID 13237409) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethanesulfonyl chloride
PubChem CID13237409
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name2-(4-methoxyphenyl)ethanesulfonyl chloride
SMILESCOc1ccc(CCS(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClO3S/c1-13-9-4-2-8(3-5-9)6-7-14(10,11)12/h2-5H,6-7H2,1H3
InChIKeySXSSVXAEIXMJIJ-UHFFFAOYSA-N
XLogP1.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)ethanesulfonyl 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 2-(4-methoxyphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(4-methoxyphenyl)ethanesulfonyl chloride (CID 13237409) is 2-(4-methoxyphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(4-methoxyphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(4-methoxyphenyl)ethanesulfonyl chloride is COc1ccc(CCS(=O)(=O)Cl)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethanesulfonyl chloride?
The InChIKey is SXSSVXAEIXMJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-13-9-4-2-8(3-5-9)6-7-14(10,11)12/h2-5H,6-7H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)ethanesulfonyl chloride?
2-(4-methoxyphenyl)ethanesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 13237409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).