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

C7H6Cl2O3S — CID 55279556

IUPAC3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride
SMILESCc1cc(Cl)c(O)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H6Cl2O3S/c1-4-2-5(8)7(10)6(3-4)13(9,11)12/h2-3,10H,1H3
InChIKeyBCHGKXNAZQTZKB-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.28
Rot. Bonds1

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

3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride (PubChem CID 55279556) has the molecular formula C7H6Cl2O3S and a molecular weight of 241.09 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride
PubChem CID55279556
Molecular FormulaC7H6Cl2O3S
Molecular Weight241.09 g/mol
Exact Mass239.94
IUPAC Name3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride
SMILESCc1cc(Cl)c(O)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H6Cl2O3S/c1-4-2-5(8)7(10)6(3-4)13(9,11)12/h2-3,10H,1H3
InChIKeyBCHGKXNAZQTZKB-UHFFFAOYSA-N
XLogP2.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-2-hydroxybenzene-1-sulfonyl chloride
CID 55280569
2,2'-Thiobis[6-chloro-4-ethylphenol]
CID 53470651
2,2'-Thiobis[6-chloro-p-cresol]
CID 56843991
3-Chloro-2-hydroxy-5-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 58531652
(5-Chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride
CID 84806046
5-Chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
CID 84806058
(3-Chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride
CID 117400756
(5-Chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride
CID 117443499
5-Chloro-2-hydroxy-3-methylbenzene-1-sulfonyl fluoride
CID 165453225
3-Chloro-2-hydroxy-6-methylbenzene-1-sulfonyl fluoride
CID 165460514
3-Chloro-2-hydroxy-5-methylbenzene-1-sulfonyl fluoride
CID 165460518
Sodium 3-chloro-5-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzenesulfonic acid
CID 54605854

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride?
The IUPAC name of 3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride (CID 55279556) is 3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride is Cc1cc(Cl)c(O)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride?
The InChIKey is BCHGKXNAZQTZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O3S/c1-4-2-5(8)7(10)6(3-4)13(9,11)12/h2-3,10H,1H3.
What are the key properties of 3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride?
3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride has a molecular weight of 241.09 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 55279556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).