3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride

C7H3ClFNO3S — CID 131010933

IUPAC3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride
SMILESN#Cc1c(O)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H3ClFNO3S/c8-14(12,13)6-2-1-5(11)4(3-10)7(6)9/h1-2,11H
InChIKeyCKOMFCVNWQDJKG-UHFFFAOYSA-N
MW235.62 g/mol
LogP1.33
Rot. Bonds1

About 3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride

3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride (PubChem CID 131010933) has the molecular formula C7H3ClFNO3S and a molecular weight of 235.62 g/mol. Its IUPAC name is 3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride
PubChem CID131010933
Molecular FormulaC7H3ClFNO3S
Molecular Weight235.62 g/mol
Exact Mass234.95
IUPAC Name3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride
SMILESN#Cc1c(O)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H3ClFNO3S/c8-14(12,13)6-2-1-5(11)4(3-10)7(6)9/h1-2,11H
InChIKeyCKOMFCVNWQDJKG-UHFFFAOYSA-N
XLogP1.33
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride?
The IUPAC name of 3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride (CID 131010933) is 3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride is N#Cc1c(O)ccc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride?
The InChIKey is CKOMFCVNWQDJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO3S/c8-14(12,13)6-2-1-5(11)4(3-10)7(6)9/h1-2,11H.
What are the key properties of 3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride?
3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride has a molecular weight of 235.62 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-fluoro-4-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 131010933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).