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

C20H16F2N4O2S — CID 53153466

IUPACN-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESCc1nnc2c(S(=O)(=O)N(Cc3ccccc3)c3cc(F)cc(F)c3)cccn12
InChIInChI=1S/C20H16F2N4O2S/c1-14-23-24-20-19(8-5-9-25(14)20)29(27,28)26(13-15-6-3-2-4-7-15)18-11-16(21)10-17(22)12-18/h2-12H,13H2,1H3
InChIKeyFIQGXHOEBWFQPT-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.71
Rot. Bonds5

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

N-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (PubChem CID 53153466) has the molecular formula C20H16F2N4O2S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
PubChem CID53153466
Molecular FormulaC20H16F2N4O2S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC NameN-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESCc1nnc2c(S(=O)(=O)N(Cc3ccccc3)c3cc(F)cc(F)c3)cccn12
InChIInChI=1S/C20H16F2N4O2S/c1-14-23-24-20-19(8-5-9-25(14)20)29(27,28)26(13-15-6-3-2-4-7-15)18-11-16(21)10-17(22)12-18/h2-12H,13H2,1H3
InChIKeyFIQGXHOEBWFQPT-UHFFFAOYSA-N
XLogP3.71
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The IUPAC name of N-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (CID 53153466) is N-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.
What is the SMILES notation for N-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The canonical SMILES for N-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is Cc1nnc2c(S(=O)(=O)N(Cc3ccccc3)c3cc(F)cc(F)c3)cccn12.
What is the InChIKey of N-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The InChIKey is FIQGXHOEBWFQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2S/c1-14-23-24-20-19(8-5-9-25(14)20)29(27,28)26(13-15-6-3-2-4-7-15)18-11-16(21)10-17(22)12-18/h2-12H,13H2,1H3.
What are the key properties of N-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
N-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide has a molecular weight of 414.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3,5-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is sourced from PubChem (CID 53153466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).