5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride

C6H3Cl2FO3S — CID 84704753

IUPAC5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C6H3Cl2FO3S/c7-3-1-6(13(8,11)12)5(10)2-4(3)9/h1-2,10H
InChIKeyLXWLYNLUSZNNIS-UHFFFAOYSA-N
MW245.06 g/mol
LogP2.11
Rot. Bonds1

About 5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride

5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride (PubChem CID 84704753) has the molecular formula C6H3Cl2FO3S and a molecular weight of 245.06 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride
PubChem CID84704753
Molecular FormulaC6H3Cl2FO3S
Molecular Weight245.06 g/mol
Exact Mass243.92
IUPAC Name5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C6H3Cl2FO3S/c7-3-1-6(13(8,11)12)5(10)2-4(3)9/h1-2,10H
InChIKeyLXWLYNLUSZNNIS-UHFFFAOYSA-N
XLogP2.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride
CID 84801879
2,5-dichloro-4-fluorobenzenesulfonic acid
CID 86635160
4-bromo-5-chloro-2-fluorobenzenesulfonyl chloride
CID 50998068
3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride
CID 84807137
2,5-dichloro-4-fluorophenol
CID 3535760
2-bromo-4-chloro-5-fluorophenol
CID 18997596
4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol
CID 168866195
5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride
CID 56604734
4-chloro-2-(difluoromethyl)-5-fluorophenol
CID 84667188
N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 82720133
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
2,3,4,5-tetrafluorobenzenesulfonyl chloride
CID 22326053

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride (CID 84704753) is 5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(F)cc1O.
What is the InChIKey of 5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride?
The InChIKey is LXWLYNLUSZNNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FO3S/c7-3-1-6(13(8,11)12)5(10)2-4(3)9/h1-2,10H.
What are the key properties of 5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride?
5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride has a molecular weight of 245.06 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 84704753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).