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

C7H5Cl2FO3S — CID 84806057

IUPAC2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
SMILESCc1cc(F)c(O)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H5Cl2FO3S/c1-3-2-4(10)6(11)7(5(3)8)14(9,12)13/h2,11H,1H3
InChIKeyFWHDHDIMNUJOEM-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.42
Rot. Bonds1

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

2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride (PubChem CID 84806057) has the molecular formula C7H5Cl2FO3S and a molecular weight of 259.09 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
PubChem CID84806057
Molecular FormulaC7H5Cl2FO3S
Molecular Weight259.09 g/mol
Exact Mass257.93
IUPAC Name2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
SMILESCc1cc(F)c(O)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H5Cl2FO3S/c1-3-2-4(10)6(11)7(5(3)8)14(9,12)13/h2,11H,1H3
InChIKeyFWHDHDIMNUJOEM-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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Related Compounds

2-Fluoro-6-hydroxy-3-methylbenzene-1-sulfonyl chloride
CID 84789817
(2-Chloro-6-fluoro-4-hydroxyphenyl)methanesulfonyl chloride
CID 84806053
5-Chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
CID 84806058
2-(2-Chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride
CID 84809927
2-Chloro-5-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride
CID 84809936
6-Chloro-2-hydroxy-3-methylbenzene-1-sulfonyl fluoride
CID 165460517
3-Chloro-4-methyl-2-sulfanylphenol
CID 21418402
3-Chloro-4-ethyl-2-sulfanylphenol
CID 21418410
3-Chloro-4-prop-2-enyl-2-sulfanylphenol
CID 67540802
4-Chloro-2-hydroxy-3-methylbenzenesulfonyl chloride
CID 87724299
2-Chloro-6-hydroxy-3-methylbenzenesulfonyl chloride
CID 84800756
6-Chloro-2-hydroxy-3-methylbenzene-1-sulfonyl chloride
CID 84800757

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride (CID 84806057) is 2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride is Cc1cc(F)c(O)c(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride?
The InChIKey is FWHDHDIMNUJOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FO3S/c1-3-2-4(10)6(11)7(5(3)8)14(9,12)13/h2,11H,1H3.
What are the key properties of 2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride?
2-chloro-5-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 2-chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84806057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).