4-phenylmethoxybenzenesulfonyl chloride

C13H11ClO3S — CID 4738385

IUPAC4-phenylmethoxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C13H11ClO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyBRTDEKQMIKCPKH-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.19
Rot. Bonds4

About 4-phenylmethoxybenzenesulfonyl chloride

4-phenylmethoxybenzenesulfonyl chloride (PubChem CID 4738385) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is 4-phenylmethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-phenylmethoxybenzenesulfonyl chloride
PubChem CID4738385
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name4-phenylmethoxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C13H11ClO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyBRTDEKQMIKCPKH-UHFFFAOYSA-N
XLogP3.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenylmethoxybenzenesulfonyl 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 4-phenylmethoxybenzenesulfonyl chloride?
The IUPAC name of 4-phenylmethoxybenzenesulfonyl chloride (CID 4738385) is 4-phenylmethoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-phenylmethoxybenzenesulfonyl chloride?
The canonical SMILES for 4-phenylmethoxybenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxybenzenesulfonyl chloride?
The InChIKey is BRTDEKQMIKCPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 4-phenylmethoxybenzenesulfonyl chloride?
4-phenylmethoxybenzenesulfonyl chloride has a molecular weight of 282.75 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxybenzenesulfonyl chloride is sourced from PubChem (CID 4738385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).