4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride

C7H3Cl3F2O3S — CID 118833988

IUPAC4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Cl)cc1OC(F)F
InChIInChI=1S/C7H3Cl3F2O3S/c8-3-1-5(15-7(11)12)6(2-4(3)9)16(10,13)14/h1-2,7H
InChIKeyBCKPXZLGMUQBGE-UHFFFAOYSA-N
MW311.52 g/mol
LogP3.52
Rot. Bonds3

About 4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride

4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride (PubChem CID 118833988) has the molecular formula C7H3Cl3F2O3S and a molecular weight of 311.52 g/mol. Its IUPAC name is 4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride
PubChem CID118833988
Molecular FormulaC7H3Cl3F2O3S
Molecular Weight311.52 g/mol
Exact Mass309.88
IUPAC Name4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Cl)cc1OC(F)F
InChIInChI=1S/C7H3Cl3F2O3S/c8-3-1-5(15-7(11)12)6(2-4(3)9)16(10,13)14/h1-2,7H
InChIKeyBCKPXZLGMUQBGE-UHFFFAOYSA-N
XLogP3.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dichloro-2-(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

Related Compounds

4-Chloro-2-methoxybenzene-1-sulfonyl chloride
CID 15725376
5-Chloro-2-methoxybenzene-1-sulfonyl chloride
CID 2734272
5-Chloro-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 13322054
4-Chloro-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 17978366
5-Chloro-2-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 51064979
Benzenesulfonamide, 5-chloro-2-(trifluoromethoxy)-
CID 11022143
5-Chloro-2-(2,2,2-trifluoroethoxy)benzene-1-sulfonyl chloride
CID 14011121
2-Trifluoromethoxy4,5-dichlorobenzenesulphonamide
CID 53680487
4,5-Dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 54028535
1,2-Dichloro-4-isocyanosulfonyl-3-(trifluoromethoxy)benzene
CID 54390482
5-Chloro-2-methoxybenzene-1-sulfonyl fluoride
CID 57430789
5-Chloro-4-fluoro-2-methoxybenzenesulfonyl chloride
CID 84031720

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride (CID 118833988) is 4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(Cl)cc1OC(F)F.
What is the InChIKey of 4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride?
The InChIKey is BCKPXZLGMUQBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3F2O3S/c8-3-1-5(15-7(11)12)6(2-4(3)9)16(10,13)14/h1-2,7H.
What are the key properties of 4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride?
4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride has a molecular weight of 311.52 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(difluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 118833988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).