3-cyano-5-fluorobenzenesulfonyl chloride

C7H3ClFNO2S — CID 55280684

IUPAC3-cyano-5-fluorobenzenesulfonyl chloride
SMILESN#Cc1cc(F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H3ClFNO2S/c8-13(11,12)7-2-5(4-10)1-6(9)3-7/h1-3H
InChIKeyZQEROTOETXELJU-UHFFFAOYSA-N
MW219.62 g/mol
LogP1.62
Rot. Bonds1

About 3-cyano-5-fluorobenzenesulfonyl chloride

3-cyano-5-fluorobenzenesulfonyl chloride (PubChem CID 55280684) has the molecular formula C7H3ClFNO2S and a molecular weight of 219.62 g/mol. Its IUPAC name is 3-cyano-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-cyano-5-fluorobenzenesulfonyl chloride
PubChem CID55280684
Molecular FormulaC7H3ClFNO2S
Molecular Weight219.62 g/mol
Exact Mass218.96
IUPAC Name3-cyano-5-fluorobenzenesulfonyl chloride
SMILESN#Cc1cc(F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H3ClFNO2S/c8-13(11,12)7-2-5(4-10)1-6(9)3-7/h1-3H
InChIKeyZQEROTOETXELJU-UHFFFAOYSA-N
XLogP1.62
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-cyano-5-fluorobenzenesulfonyl chloride (CID 55280684) is 3-cyano-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-cyano-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-cyano-5-fluorobenzenesulfonyl chloride is N#Cc1cc(F)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-cyano-5-fluorobenzenesulfonyl chloride?
The InChIKey is ZQEROTOETXELJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO2S/c8-13(11,12)7-2-5(4-10)1-6(9)3-7/h1-3H.
What are the key properties of 3-cyano-5-fluorobenzenesulfonyl chloride?
3-cyano-5-fluorobenzenesulfonyl chloride has a molecular weight of 219.62 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 55280684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).