2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride

C6H3Cl2FO3S — CID 118316969

IUPAC2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(O)c(F)cc1Cl
InChIInChI=1S/C6H3Cl2FO3S/c7-3-1-4(9)5(10)2-6(3)13(8,11)12/h1-2,10H
InChIKeyQCRSYTCAGDQZJU-UHFFFAOYSA-N
MW245.06 g/mol
LogP2.11
Rot. Bonds1

About 2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride

2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride (PubChem CID 118316969) has the molecular formula C6H3Cl2FO3S and a molecular weight of 245.06 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride
PubChem CID118316969
Molecular FormulaC6H3Cl2FO3S
Molecular Weight245.06 g/mol
Exact Mass243.92
IUPAC Name2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(O)c(F)cc1Cl
InChIInChI=1S/C6H3Cl2FO3S/c7-3-1-4(9)5(10)2-6(3)13(8,11)12/h1-2,10H
InChIKeyQCRSYTCAGDQZJU-UHFFFAOYSA-N
XLogP2.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-fluoro-5-hydroxybenzenesulfonyl 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-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride (CID 118316969) is 2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(O)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride?
The InChIKey is QCRSYTCAGDQZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FO3S/c7-3-1-4(9)5(10)2-6(3)13(8,11)12/h1-2,10H.
What are the key properties of 2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride?
2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride has a molecular weight of 245.06 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 118316969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).