5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride

C7H5Cl2FO3S — CID 84806058

IUPAC5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
SMILESCc1cc(Cl)c(O)c(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H5Cl2FO3S/c1-3-2-4(8)6(11)7(5(3)10)14(9,12)13/h2,11H,1H3
InChIKeyGKMJHSDIQRGWQU-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.42
Rot. Bonds1

About 5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride

5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride (PubChem CID 84806058) has the molecular formula C7H5Cl2FO3S and a molecular weight of 259.09 g/mol. Its IUPAC name is 5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
PubChem CID84806058
Molecular FormulaC7H5Cl2FO3S
Molecular Weight259.09 g/mol
Exact Mass257.93
IUPAC Name5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
SMILESCc1cc(Cl)c(O)c(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H5Cl2FO3S/c1-3-2-4(8)6(11)7(5(3)10)14(9,12)13/h2,11H,1H3
InChIKeyGKMJHSDIQRGWQU-UHFFFAOYSA-N
XLogP2.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride (CID 84806058) is 5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride is Cc1cc(Cl)c(O)c(S(=O)(=O)Cl)c1F.
What is the InChIKey of 5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride?
The InChIKey is GKMJHSDIQRGWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FO3S/c1-3-2-4(8)6(11)7(5(3)10)14(9,12)13/h2,11H,1H3.
What are the key properties of 5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride?
5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride has a molecular weight of 259.09 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84806058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).