6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide

C12H8FN3O3S — CID 115928132

IUPAC6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide
SMILESN#Cc1ccc(Oc2ccc(S(N)(=O)=O)cn2)cc1F
InChIInChI=1S/C12H8FN3O3S/c13-11-5-9(2-1-8(11)6-14)19-12-4-3-10(7-16-12)20(15,17)18/h1-5,7H,(H2,15,17,18)
InChIKeyOOABRVUVCYPGAC-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.53
Rot. Bonds3

About 6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide

6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide (PubChem CID 115928132) has the molecular formula C12H8FN3O3S and a molecular weight of 293.28 g/mol. Its IUPAC name is 6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide
PubChem CID115928132
Molecular FormulaC12H8FN3O3S
Molecular Weight293.28 g/mol
Exact Mass293.03
IUPAC Name6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide
SMILESN#Cc1ccc(Oc2ccc(S(N)(=O)=O)cn2)cc1F
InChIInChI=1S/C12H8FN3O3S/c13-11-5-9(2-1-8(11)6-14)19-12-4-3-10(7-16-12)20(15,17)18/h1-5,7H,(H2,15,17,18)
InChIKeyOOABRVUVCYPGAC-UHFFFAOYSA-N
XLogP1.53
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide?
The IUPAC name of 6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide (CID 115928132) is 6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide?
The canonical SMILES for 6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide is N#Cc1ccc(Oc2ccc(S(N)(=O)=O)cn2)cc1F.
What is the InChIKey of 6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide?
The InChIKey is OOABRVUVCYPGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3S/c13-11-5-9(2-1-8(11)6-14)19-12-4-3-10(7-16-12)20(15,17)18/h1-5,7H,(H2,15,17,18).
What are the key properties of 6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide?
6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide has a molecular weight of 293.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyano-3-fluorophenoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 115928132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).