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

C19H13ClF2N4O2S — CID 53153385

IUPACN-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESO=S(=O)(c1cccn2cnnc12)N(Cc1ccccc1Cl)c1cc(F)cc(F)c1
InChIInChI=1S/C19H13ClF2N4O2S/c20-17-5-2-1-4-13(17)11-26(16-9-14(21)8-15(22)10-16)29(27,28)18-6-3-7-25-12-23-24-19(18)25/h1-10,12H,11H2
InChIKeyGQKMQHMLDGCANG-UHFFFAOYSA-N
MW434.86 g/mol
LogP4.06
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (PubChem CID 53153385) has the molecular formula C19H13ClF2N4O2S and a molecular weight of 434.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
PubChem CID53153385
Molecular FormulaC19H13ClF2N4O2S
Molecular Weight434.86 g/mol
Exact Mass434.04
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESO=S(=O)(c1cccn2cnnc12)N(Cc1ccccc1Cl)c1cc(F)cc(F)c1
InChIInChI=1S/C19H13ClF2N4O2S/c20-17-5-2-1-4-13(17)11-26(16-9-14(21)8-15(22)10-16)29(27,28)18-6-3-7-25-12-23-24-19(18)25/h1-10,12H,11H2
InChIKeyGQKMQHMLDGCANG-UHFFFAOYSA-N
XLogP4.06
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.86
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (CID 53153385) is N-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is O=S(=O)(c1cccn2cnnc12)N(Cc1ccccc1Cl)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The InChIKey is GQKMQHMLDGCANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N4O2S/c20-17-5-2-1-4-13(17)11-26(16-9-14(21)8-15(22)10-16)29(27,28)18-6-3-7-25-12-23-24-19(18)25/h1-10,12H,11H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
N-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide has a molecular weight of 434.86 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is sourced from PubChem (CID 53153385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).