N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide

C19H12FN5O2S — CID 134328390

IUPACN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide
SMILESN#Cc1ccc(-c2cc(NS(=O)(=O)c3ccccc3)cc3ncnn23)cc1F
InChIInChI=1S/C19H12FN5O2S/c20-17-8-13(6-7-14(17)11-21)18-9-15(10-19-22-12-23-25(18)19)24-28(26,27)16-4-2-1-3-5-16/h1-10,12,24H
InChIKeyZSIXCCOEHXAWEX-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.21
Rot. Bonds4

About N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide

N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide (PubChem CID 134328390) has the molecular formula C19H12FN5O2S and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide
PubChem CID134328390
Molecular FormulaC19H12FN5O2S
Molecular Weight393.40 g/mol
Exact Mass393.07
IUPAC NameN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide
SMILESN#Cc1ccc(-c2cc(NS(=O)(=O)c3ccccc3)cc3ncnn23)cc1F
InChIInChI=1S/C19H12FN5O2S/c20-17-8-13(6-7-14(17)11-21)18-9-15(10-19-22-12-23-25(18)19)24-28(26,27)16-4-2-1-3-5-16/h1-10,12,24H
InChIKeyZSIXCCOEHXAWEX-UHFFFAOYSA-N
XLogP3.21
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide (CID 134328390) is N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide is N#Cc1ccc(-c2cc(NS(=O)(=O)c3ccccc3)cc3ncnn23)cc1F.
What is the InChIKey of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide?
The InChIKey is ZSIXCCOEHXAWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5O2S/c20-17-8-13(6-7-14(17)11-21)18-9-15(10-19-22-12-23-25(18)19)24-28(26,27)16-4-2-1-3-5-16/h1-10,12,24H.
What are the key properties of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide?
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide has a molecular weight of 393.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzenesulfonamide is sourced from PubChem (CID 134328390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).