2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C16H15FN6O3S — CID 75137045

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(NS(=O)(=O)c1ccccc1F)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C16H15FN6O3S/c1-10(23-27(25,26)13-8-3-2-6-11(13)17)15(24)20-16-19-14(21-22-16)12-7-4-5-9-18-12/h2-10,23H,1H3,(H2,19,20,21,22,24)
InChIKeyGVTJKVMACOENQW-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.31
Rot. Bonds6

About 2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 75137045) has the molecular formula C16H15FN6O3S and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID75137045
Molecular FormulaC16H15FN6O3S
Molecular Weight390.40 g/mol
Exact Mass390.09
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(NS(=O)(=O)c1ccccc1F)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C16H15FN6O3S/c1-10(23-27(25,26)13-8-3-2-6-11(13)17)15(24)20-16-19-14(21-22-16)12-7-4-5-9-18-12/h2-10,23H,1H3,(H2,19,20,21,22,24)
InChIKeyGVTJKVMACOENQW-UHFFFAOYSA-N
XLogP1.31
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 75137045) is 2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is CC(NS(=O)(=O)c1ccccc1F)C(=O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is GVTJKVMACOENQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O3S/c1-10(23-27(25,26)13-8-3-2-6-11(13)17)15(24)20-16-19-14(21-22-16)12-7-4-5-9-18-12/h2-10,23H,1H3,(H2,19,20,21,22,24).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 390.40 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 75137045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).