5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride

C7H6ClFO3S — CID 165453225

IUPAC5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride
SMILESCc1cc(Cl)cc(S(=O)(=O)F)c1O
InChIInChI=1S/C7H6ClFO3S/c1-4-2-5(8)3-6(7(4)10)13(9,11)12/h2-3,10H,1H3
InChIKeyHGCNUEJZXUMINN-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.01
Rot. Bonds1

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

5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride (PubChem CID 165453225) has the molecular formula C7H6ClFO3S and a molecular weight of 224.64 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride
PubChem CID165453225
Molecular FormulaC7H6ClFO3S
Molecular Weight224.64 g/mol
Exact Mass223.97
IUPAC Name5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride
SMILESCc1cc(Cl)cc(S(=O)(=O)F)c1O
InChIInChI=1S/C7H6ClFO3S/c1-4-2-5(8)3-6(7(4)10)13(9,11)12/h2-3,10H,1H3
InChIKeyHGCNUEJZXUMINN-UHFFFAOYSA-N
XLogP2.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride
CID 211574
2,2'-Sulfanediylbis(4-chloro-6-methylphenol)
CID 23461862
3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid
CID 122646
5-Chloro-3-[(5-chloro-2-hydroxy-3-sulfo-phenyl)methyl]-2-hydroxy-benzenesulfonic acid
CID 461853
3-Chloro-2-hydroxy-5-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 58531652
Sodium 3,3'-Methylene bis (2-hydroxy-5-chloro-benzenesulfonate)
CID 54600764
5-Chloro-3-((5-chloro-2-hydroxyphenyl)methyl)-2-hydroxybenzenesulfonic acid
CID 3019369
5-Chloro-2-methoxy-3-methylbenzenesulfonyl fluoride
CID 82292288
5-Chloro-2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
CID 84806058
(5-Chloro-3-fluoro-2-hydroxyphenyl)methanesulfonyl chloride
CID 117400758
6-Chloro-2-hydroxy-3-methylbenzene-1-sulfonyl fluoride
CID 165460517
3-Chloro-2-hydroxy-5-methylbenzene-1-sulfonyl fluoride
CID 165460518

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride?
The IUPAC name of 5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride (CID 165453225) is 5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride.
What is the SMILES notation for 5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride?
The canonical SMILES for 5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride is Cc1cc(Cl)cc(S(=O)(=O)F)c1O.
What is the InChIKey of 5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride?
The InChIKey is HGCNUEJZXUMINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO3S/c1-4-2-5(8)3-6(7(4)10)13(9,11)12/h2-3,10H,1H3.
What are the key properties of 5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride?
5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride has a molecular weight of 224.64 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-3-methylbenzenesulfonyl fluoride is sourced from PubChem (CID 165453225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).