3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride

C8H8ClFO3S — CID 84700851

IUPAC3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride
SMILESCC(F)c1cccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C8H8ClFO3S/c1-5(10)6-3-2-4-7(8(6)11)14(9,12)13/h2-5,11H,1H3
InChIKeyHTWOKDRWETWWTH-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.35
Rot. Bonds2

About 3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride

3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride (PubChem CID 84700851) has the molecular formula C8H8ClFO3S and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride
PubChem CID84700851
Molecular FormulaC8H8ClFO3S
Molecular Weight238.67 g/mol
Exact Mass237.99
IUPAC Name3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride
SMILESCC(F)c1cccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C8H8ClFO3S/c1-5(10)6-3-2-4-7(8(6)11)14(9,12)13/h2-5,11H,1H3
InChIKeyHTWOKDRWETWWTH-UHFFFAOYSA-N
XLogP2.35
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride (CID 84700851) is 3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride is CC(F)c1cccc(S(=O)(=O)Cl)c1O.
What is the InChIKey of 3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride?
The InChIKey is HTWOKDRWETWWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO3S/c1-5(10)6-3-2-4-7(8(6)11)14(9,12)13/h2-5,11H,1H3.
What are the key properties of 3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride?
3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride has a molecular weight of 238.67 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 84700851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).