N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide

C18H12FN3O2S — CID 154631941

IUPACN-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C18H12FN3O2S/c19-16-11-13(8-9-14(16)12-20)18-17(7-4-10-21-18)22-25(23,24)15-5-2-1-3-6-15/h1-11,22H
InChIKeyNPZBCZKZBKCZBX-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.56
Rot. Bonds4

About N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide

N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 154631941) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID154631941
Molecular FormulaC18H12FN3O2S
Molecular Weight353.38 g/mol
Exact Mass353.06
IUPAC NameN-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C18H12FN3O2S/c19-16-11-13(8-9-14(16)12-20)18-17(7-4-10-21-18)22-25(23,24)15-5-2-1-3-6-15/h1-11,22H
InChIKeyNPZBCZKZBKCZBX-UHFFFAOYSA-N
XLogP3.56
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide (CID 154631941) is N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide is N#Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccccc2)cc1F.
What is the InChIKey of N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is NPZBCZKZBKCZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c19-16-11-13(8-9-14(16)12-20)18-17(7-4-10-21-18)22-25(23,24)15-5-2-1-3-6-15/h1-11,22H.
What are the key properties of N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 353.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 154631941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).