3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride

C7HCl3F2O3S — CID 116739950

IUPAC3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride
SMILESO=C(Cl)c1cc(S(=O)(=O)Cl)c(F)c(Cl)c1F
InChIInChI=1S/C7HCl3F2O3S/c8-4-5(11)2(7(9)13)1-3(6(4)12)16(10,14)15/h1H
InChIKeyQSJHPQRMRSDGJO-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.92
Rot. Bonds2

About 3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride

3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride (PubChem CID 116739950) has the molecular formula C7HCl3F2O3S and a molecular weight of 309.50 g/mol. Its IUPAC name is 3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride.

Molecular Properties

Compound Name3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride
PubChem CID116739950
Molecular FormulaC7HCl3F2O3S
Molecular Weight309.50 g/mol
Exact Mass307.87
IUPAC Name3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride
SMILESO=C(Cl)c1cc(S(=O)(=O)Cl)c(F)c(Cl)c1F
InChIInChI=1S/C7HCl3F2O3S/c8-4-5(11)2(7(9)13)1-3(6(4)12)16(10,14)15/h1H
InChIKeyQSJHPQRMRSDGJO-UHFFFAOYSA-N
XLogP2.92
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-(ethylsulfamoyl)-2,4-difluorobenzoic acid
CID 59591393
5-chlorosulfonyl-2,3-difluorobenzoyl chloride
CID 116739963
3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride
CID 116739951
3-acetyl-2,5-difluorobenzenesulfonyl chloride
CID 43118897
5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368417
2,3,4,5-tetrafluorobenzenesulfonyl chloride
CID 22326053
2-chloro-5-fluoro-4-(2,3,4,5,6-pentachlorophenyl)benzoyl chloride
CID 134629641
5-chloro-3-(3,3-dimethylbutan-2-ylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 104830356
5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride
CID 116739971
2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367632
2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372566
3-[butan-2-yl(ethyl)carbamoyl]-5-chloro-2-fluorobenzenesulfonyl chloride
CID 65372645

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride?
The IUPAC name of 3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride (CID 116739950) is 3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride.
What is the SMILES notation for 3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride?
The canonical SMILES for 3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride is O=C(Cl)c1cc(S(=O)(=O)Cl)c(F)c(Cl)c1F.
What is the InChIKey of 3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride?
The InChIKey is QSJHPQRMRSDGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl3F2O3S/c8-4-5(11)2(7(9)13)1-3(6(4)12)16(10,14)15/h1H.
What are the key properties of 3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride?
3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride has a molecular weight of 309.50 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride is sourced from PubChem (CID 116739950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).