2,4-difluoro-3-methoxybenzenesulfonyl chloride

C7H5ClF2O3S — CID 84703410

IUPAC2,4-difluoro-3-methoxybenzenesulfonyl chloride
SMILESCOc1c(F)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H5ClF2O3S/c1-13-7-4(9)2-3-5(6(7)10)14(8,11)12/h2-3H,1H3
InChIKeyHOMCRQATKGIJDA-UHFFFAOYSA-N
MW242.63 g/mol
LogP1.90
Rot. Bonds2

About 2,4-difluoro-3-methoxybenzenesulfonyl chloride

2,4-difluoro-3-methoxybenzenesulfonyl chloride (PubChem CID 84703410) has the molecular formula C7H5ClF2O3S and a molecular weight of 242.63 g/mol. Its IUPAC name is 2,4-difluoro-3-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-difluoro-3-methoxybenzenesulfonyl chloride
PubChem CID84703410
Molecular FormulaC7H5ClF2O3S
Molecular Weight242.63 g/mol
Exact Mass241.96
IUPAC Name2,4-difluoro-3-methoxybenzenesulfonyl chloride
SMILESCOc1c(F)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H5ClF2O3S/c1-13-7-4(9)2-3-5(6(7)10)14(8,11)12/h2-3H,1H3
InChIKeyHOMCRQATKGIJDA-UHFFFAOYSA-N
XLogP1.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-3-methoxybenzenesulfonyl 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-difluoro-3-methoxybenzenesulfonyl chloride?
The IUPAC name of 2,4-difluoro-3-methoxybenzenesulfonyl chloride (CID 84703410) is 2,4-difluoro-3-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2,4-difluoro-3-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2,4-difluoro-3-methoxybenzenesulfonyl chloride is COc1c(F)ccc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 2,4-difluoro-3-methoxybenzenesulfonyl chloride?
The InChIKey is HOMCRQATKGIJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O3S/c1-13-7-4(9)2-3-5(6(7)10)14(8,11)12/h2-3H,1H3.
What are the key properties of 2,4-difluoro-3-methoxybenzenesulfonyl chloride?
2,4-difluoro-3-methoxybenzenesulfonyl chloride has a molecular weight of 242.63 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 84703410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).