N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

C20H17FN4O2S — CID 53158069

IUPACN-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCc1nnc2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)c3ccccc3)cn12
InChIInChI=1S/C20H17FN4O2S/c1-15-22-23-20-12-11-19(14-24(15)20)28(26,27)25(18-5-3-2-4-6-18)13-16-7-9-17(21)10-8-16/h2-12,14H,13H2,1H3
InChIKeyBHISRFBHZOMEJM-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.57
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 53158069) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID53158069
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCc1nnc2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)c3ccccc3)cn12
InChIInChI=1S/C20H17FN4O2S/c1-15-22-23-20-12-11-19(14-24(15)20)28(26,27)25(18-5-3-2-4-6-18)13-16-7-9-17(21)10-8-16/h2-12,14H,13H2,1H3
InChIKeyBHISRFBHZOMEJM-UHFFFAOYSA-N
XLogP3.57
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 53158069) is N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is Cc1nnc2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)c3ccccc3)cn12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is BHISRFBHZOMEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-15-22-23-20-12-11-19(14-24(15)20)28(26,27)25(18-5-3-2-4-6-18)13-16-7-9-17(21)10-8-16/h2-12,14H,13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 396.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 53158069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).