3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride

C12H8ClFO3S — CID 115059719

IUPAC3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccccc2O)c(F)c1
InChIInChI=1S/C12H8ClFO3S/c13-18(16,17)8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)15/h1-7,15H
InChIKeyNQSGLYIAEHTQRX-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.13
Rot. Bonds2

About 3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride

3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride (PubChem CID 115059719) has the molecular formula C12H8ClFO3S and a molecular weight of 286.71 g/mol. Its IUPAC name is 3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride
PubChem CID115059719
Molecular FormulaC12H8ClFO3S
Molecular Weight286.71 g/mol
Exact Mass285.99
IUPAC Name3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccccc2O)c(F)c1
InChIInChI=1S/C12H8ClFO3S/c13-18(16,17)8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)15/h1-7,15H
InChIKeyNQSGLYIAEHTQRX-UHFFFAOYSA-N
XLogP3.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride (CID 115059719) is 3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2ccccc2O)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride?
The InChIKey is NQSGLYIAEHTQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO3S/c13-18(16,17)8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)15/h1-7,15H.
What are the key properties of 3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride?
3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride has a molecular weight of 286.71 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-hydroxyphenyl)benzenesulfonyl chloride is sourced from PubChem (CID 115059719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).