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

C7H6ClFO3S — CID 165460518

IUPAC3-chloro-2-hydroxy-5-methylbenzenesulfonyl fluoride
SMILESCc1cc(Cl)c(O)c(S(=O)(=O)F)c1
InChIInChI=1S/C7H6ClFO3S/c1-4-2-5(8)7(10)6(3-4)13(9,11)12/h2-3,10H,1H3
InChIKeySBQBWVNGHLISSX-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.01
Rot. Bonds1

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

3-chloro-2-hydroxy-5-methylbenzenesulfonyl fluoride (PubChem CID 165460518) has the molecular formula C7H6ClFO3S and a molecular weight of 224.64 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-5-methylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name3-chloro-2-hydroxy-5-methylbenzenesulfonyl fluoride
PubChem CID165460518
Molecular FormulaC7H6ClFO3S
Molecular Weight224.64 g/mol
Exact Mass223.97
IUPAC Name3-chloro-2-hydroxy-5-methylbenzenesulfonyl fluoride
SMILESCc1cc(Cl)c(O)c(S(=O)(=O)F)c1
InChIInChI=1S/C7H6ClFO3S/c1-4-2-5(8)7(10)6(3-4)13(9,11)12/h2-3,10H,1H3
InChIKeySBQBWVNGHLISSX-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-5-methylbenzenesulfonyl fluoride?
The IUPAC name of 3-chloro-2-hydroxy-5-methylbenzenesulfonyl fluoride (CID 165460518) is 3-chloro-2-hydroxy-5-methylbenzenesulfonyl fluoride.
What is the SMILES notation for 3-chloro-2-hydroxy-5-methylbenzenesulfonyl fluoride?
The canonical SMILES for 3-chloro-2-hydroxy-5-methylbenzenesulfonyl fluoride is Cc1cc(Cl)c(O)c(S(=O)(=O)F)c1.
What is the InChIKey of 3-chloro-2-hydroxy-5-methylbenzenesulfonyl fluoride?
The InChIKey is SBQBWVNGHLISSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO3S/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 fluoride?
3-chloro-2-hydroxy-5-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 3-chloro-2-hydroxy-5-methylbenzenesulfonyl fluoride is sourced from PubChem (CID 165460518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).