N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

C21H18F2N4O2S — CID 53153356

IUPACN-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESCCc1ccc(N(Cc2cc(F)cc(F)c2)S(=O)(=O)c2cccn3cnnc23)cc1
InChIInChI=1S/C21H18F2N4O2S/c1-2-15-5-7-19(8-6-15)27(13-16-10-17(22)12-18(23)11-16)30(28,29)20-4-3-9-26-14-24-25-21(20)26/h3-12,14H,2,13H2,1H3
InChIKeyUDGMYVVNXFXLQF-UHFFFAOYSA-N
MW428.46 g/mol
LogP3.97
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (PubChem CID 53153356) has the molecular formula C21H18F2N4O2S and a molecular weight of 428.46 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
PubChem CID53153356
Molecular FormulaC21H18F2N4O2S
Molecular Weight428.46 g/mol
Exact Mass428.11
IUPAC NameN-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESCCc1ccc(N(Cc2cc(F)cc(F)c2)S(=O)(=O)c2cccn3cnnc23)cc1
InChIInChI=1S/C21H18F2N4O2S/c1-2-15-5-7-19(8-6-15)27(13-16-10-17(22)12-18(23)11-16)30(28,29)20-4-3-9-26-14-24-25-21(20)26/h3-12,14H,2,13H2,1H3
InChIKeyUDGMYVVNXFXLQF-UHFFFAOYSA-N
XLogP3.97
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (CID 53153356) is N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is CCc1ccc(N(Cc2cc(F)cc(F)c2)S(=O)(=O)c2cccn3cnnc23)cc1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The InChIKey is UDGMYVVNXFXLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2S/c1-2-15-5-7-19(8-6-15)27(13-16-10-17(22)12-18(23)11-16)30(28,29)20-4-3-9-26-14-24-25-21(20)26/h3-12,14H,2,13H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide has a molecular weight of 428.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is sourced from PubChem (CID 53153356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).