3-(difluoromethoxy)benzenesulfonyl chloride

C7H5ClF2O3S — CID 2778226

IUPAC3-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(OC(F)F)c1
InChIInChI=1S/C7H5ClF2O3S/c8-14(11,12)6-3-1-2-5(4-6)13-7(9)10/h1-4,7H
InChIKeyVKSMJFRQQMGYHS-UHFFFAOYSA-N
MW242.63 g/mol
LogP2.22
Rot. Bonds3

About 3-(difluoromethoxy)benzenesulfonyl chloride

3-(difluoromethoxy)benzenesulfonyl chloride (PubChem CID 2778226) has the molecular formula C7H5ClF2O3S and a molecular weight of 242.63 g/mol. Its IUPAC name is 3-(difluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(difluoromethoxy)benzenesulfonyl chloride
PubChem CID2778226
Molecular FormulaC7H5ClF2O3S
Molecular Weight242.63 g/mol
Exact Mass241.96
IUPAC Name3-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(OC(F)F)c1
InChIInChI=1S/C7H5ClF2O3S/c8-14(11,12)6-3-1-2-5(4-6)13-7(9)10/h1-4,7H
InChIKeyVKSMJFRQQMGYHS-UHFFFAOYSA-N
XLogP2.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethoxy)benzenesulfonyl 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 3-(difluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 3-(difluoromethoxy)benzenesulfonyl chloride (CID 2778226) is 3-(difluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-(difluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-(difluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)benzenesulfonyl chloride?
The InChIKey is VKSMJFRQQMGYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O3S/c8-14(11,12)6-3-1-2-5(4-6)13-7(9)10/h1-4,7H.
What are the key properties of 3-(difluoromethoxy)benzenesulfonyl chloride?
3-(difluoromethoxy)benzenesulfonyl chloride has a molecular weight of 242.63 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 2778226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).