3-cyano-4-fluorobenzenesulfonamide

C7H5FN2O2S — CID 25139897

IUPAC3-cyano-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C7H5FN2O2S/c8-7-2-1-6(13(10,11)12)3-5(7)4-9/h1-3H,(H2,10,11,12)
InChIKeyHVKUPIBRYPDOBG-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.34
Rot. Bonds1

About 3-cyano-4-fluorobenzenesulfonamide

3-cyano-4-fluorobenzenesulfonamide (PubChem CID 25139897) has the molecular formula C7H5FN2O2S and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-cyano-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluorobenzenesulfonamide
PubChem CID25139897
Molecular FormulaC7H5FN2O2S
Molecular Weight200.19 g/mol
Exact Mass200.01
IUPAC Name3-cyano-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C7H5FN2O2S/c8-7-2-1-6(13(10,11)12)3-5(7)4-9/h1-3H,(H2,10,11,12)
InChIKeyHVKUPIBRYPDOBG-UHFFFAOYSA-N
XLogP0.34
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluorobenzenesulfonamide?
The IUPAC name of 3-cyano-4-fluorobenzenesulfonamide (CID 25139897) is 3-cyano-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluorobenzenesulfonamide is N#Cc1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of 3-cyano-4-fluorobenzenesulfonamide?
The InChIKey is HVKUPIBRYPDOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O2S/c8-7-2-1-6(13(10,11)12)3-5(7)4-9/h1-3H,(H2,10,11,12).
What are the key properties of 3-cyano-4-fluorobenzenesulfonamide?
3-cyano-4-fluorobenzenesulfonamide has a molecular weight of 200.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluorobenzenesulfonamide is sourced from PubChem (CID 25139897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).