2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride

C7H3Cl3F2O3S — CID 82911870

IUPAC2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC(F)F)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl3F2O3S/c8-5-3(15-7(11)12)1-2-4(6(5)9)16(10,13)14/h1-2,7H
InChIKeyYICHDSZCXQAUQQ-UHFFFAOYSA-N
MW311.52 g/mol
LogP3.52
Rot. Bonds3

About 2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride

2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride (PubChem CID 82911870) has the molecular formula C7H3Cl3F2O3S and a molecular weight of 311.52 g/mol. Its IUPAC name is 2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride
PubChem CID82911870
Molecular FormulaC7H3Cl3F2O3S
Molecular Weight311.52 g/mol
Exact Mass309.88
IUPAC Name2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC(F)F)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl3F2O3S/c8-5-3(15-7(11)12)1-2-4(6(5)9)16(10,13)14/h1-2,7H
InChIKeyYICHDSZCXQAUQQ-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 2,3-dichloro-4-(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

2,3-dichloro-4-methoxy-N-propylbenzenesulfonamide
CID 1815765
2,5-Dichloro-4-methoxybenzene-1-sulfonyl chloride
CID 43134433
3-chloro-4-(trifluoromethoxy)benzenesulfonyl Chloride
CID 2782768
3-Chloro-4-methoxybenzene-1-sulfonyl chloride
CID 16767427
3-Chloro-4-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 20119141
2,5-Dichloro-4-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 82912671
3-Chloro-5-fluoro-4-methoxybenzene-1-sulfonyl chloride
CID 84709638
3-Chloro-2-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 131456109
2,3-Dichloro-4-methoxybenzene-1-sulfonyl chloride
CID 15914268
2,3-Dichloro-4-methoxybenzene-1-thiol
CID 15914269
O-(2,3-dichloro-4-fluorosulfonylphenyl) N,N-dimethylcarbamothioate
CID 305735
2,2,2-Trifluoroethyl 2,5-dichloro-4-methoxybenzenesulfonate
CID 53569281

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride (CID 82911870) is 2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OC(F)F)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride?
The InChIKey is YICHDSZCXQAUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3F2O3S/c8-5-3(15-7(11)12)1-2-4(6(5)9)16(10,13)14/h1-2,7H.
What are the key properties of 2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride?
2,3-dichloro-4-(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 2,3-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82911870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).