5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride

C13H6Cl3FO3S — CID 86048949

IUPAC5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride
SMILESO=C(c1ccc(F)c(S(=O)(=O)Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6Cl3FO3S/c14-8-2-3-10(15)9(6-8)13(18)7-1-4-11(17)12(5-7)21(16,19)20/h1-6H
InChIKeyZFOFYXAVXGVUJV-UHFFFAOYSA-N
MW367.61 g/mol
LogP4.29
Rot. Bonds3

About 5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride

5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride (PubChem CID 86048949) has the molecular formula C13H6Cl3FO3S and a molecular weight of 367.61 g/mol. Its IUPAC name is 5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride
PubChem CID86048949
Molecular FormulaC13H6Cl3FO3S
Molecular Weight367.61 g/mol
Exact Mass365.91
IUPAC Name5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride
SMILESO=C(c1ccc(F)c(S(=O)(=O)Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6Cl3FO3S/c14-8-2-3-10(15)9(6-8)13(18)7-1-4-11(17)12(5-7)21(16,19)20/h1-6H
InChIKeyZFOFYXAVXGVUJV-UHFFFAOYSA-N
XLogP4.29
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
5-carbamoyl-2-fluorobenzenesulfonyl chloride
CID 65368033
sodium 4-(2,5-dichlorobenzoyl)benzenesulfonate
CID 58782438
chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate
CID 90980810
2-benzoyl-4-chlorobenzenesulfonyl chloride
CID 2756600
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
2-benzoyl-5-chlorobenzenesulfonyl chloride
CID 154105826
cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65373953
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone
CID 43344607
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride (CID 86048949) is 5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride is O=C(c1ccc(F)c(S(=O)(=O)Cl)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride?
The InChIKey is ZFOFYXAVXGVUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3FO3S/c14-8-2-3-10(15)9(6-8)13(18)7-1-4-11(17)12(5-7)21(16,19)20/h1-6H.
What are the key properties of 5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride?
5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride has a molecular weight of 367.61 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 86048949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).