5-chlorosulfonyl-2,3-difluorobenzoyl chloride

C7H2Cl2F2O3S — CID 116739963

IUPAC5-chlorosulfonyl-2,3-difluorobenzoyl chloride
SMILESO=C(Cl)c1cc(S(=O)(=O)Cl)cc(F)c1F
InChIInChI=1S/C7H2Cl2F2O3S/c8-7(12)4-1-3(15(9,13)14)2-5(10)6(4)11/h1-2H
InChIKeySXLDQHIYJVPZEJ-UHFFFAOYSA-N
MW275.06 g/mol
LogP2.27
Rot. Bonds2

About 5-chlorosulfonyl-2,3-difluorobenzoyl chloride

5-chlorosulfonyl-2,3-difluorobenzoyl chloride (PubChem CID 116739963) has the molecular formula C7H2Cl2F2O3S and a molecular weight of 275.06 g/mol. Its IUPAC name is 5-chlorosulfonyl-2,3-difluorobenzoyl chloride.

Molecular Properties

Compound Name5-chlorosulfonyl-2,3-difluorobenzoyl chloride
PubChem CID116739963
Molecular FormulaC7H2Cl2F2O3S
Molecular Weight275.06 g/mol
Exact Mass273.91
IUPAC Name5-chlorosulfonyl-2,3-difluorobenzoyl chloride
SMILESO=C(Cl)c1cc(S(=O)(=O)Cl)cc(F)c1F
InChIInChI=1S/C7H2Cl2F2O3S/c8-7(12)4-1-3(15(9,13)14)2-5(10)6(4)11/h1-2H
InChIKeySXLDQHIYJVPZEJ-UHFFFAOYSA-N
XLogP2.27
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.06
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 5-chlorosulfonyl-2,3-difluorobenzoate
CID 65374883
3,4-difluoro-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368447
3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 65398826
3-(2,2-dimethylbutylcarbamoyl)-4,5-difluorobenzenesulfonyl chloride
CID 103465632
5-chlorosulfonyl-2,3-dimethylbenzoyl chloride
CID 116739998
3,4-difluoro-5-[methyl(2-methylbutan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 65398604
2-cyclobutylethyl 5-chlorosulfonyl-2,3-difluorobenzoate
CID 106206977
3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride
CID 116739951
3-bromo-5-chlorosulfonyl-2-methylbenzoyl chloride
CID 116739996
4-chloro-3,5-difluorobenzenesulfonyl chloride
CID 84705948
3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride
CID 65372146
methyl 3-bromo-5-chlorosulfonyl-2-fluorobenzoate
CID 106751284

Frequently Asked Questions

What is the IUPAC name of 5-chlorosulfonyl-2,3-difluorobenzoyl chloride?
The IUPAC name of 5-chlorosulfonyl-2,3-difluorobenzoyl chloride (CID 116739963) is 5-chlorosulfonyl-2,3-difluorobenzoyl chloride.
What is the SMILES notation for 5-chlorosulfonyl-2,3-difluorobenzoyl chloride?
The canonical SMILES for 5-chlorosulfonyl-2,3-difluorobenzoyl chloride is O=C(Cl)c1cc(S(=O)(=O)Cl)cc(F)c1F.
What is the InChIKey of 5-chlorosulfonyl-2,3-difluorobenzoyl chloride?
The InChIKey is SXLDQHIYJVPZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2O3S/c8-7(12)4-1-3(15(9,13)14)2-5(10)6(4)11/h1-2H.
What are the key properties of 5-chlorosulfonyl-2,3-difluorobenzoyl chloride?
5-chlorosulfonyl-2,3-difluorobenzoyl chloride has a molecular weight of 275.06 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorosulfonyl-2,3-difluorobenzoyl chloride is sourced from PubChem (CID 116739963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).