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

C20H16ClFN4O2S — CID 53158204

IUPACN-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCc1nnc2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)c3ccc(F)cc3)cn12
InChIInChI=1S/C20H16ClFN4O2S/c1-14-23-24-20-11-10-19(13-25(14)20)29(27,28)26(18-8-6-17(22)7-9-18)12-15-2-4-16(21)5-3-15/h2-11,13H,12H2,1H3
InChIKeyGXBGSJOEBPTYTC-UHFFFAOYSA-N
MW430.89 g/mol
LogP4.23
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 53158204) has the molecular formula C20H16ClFN4O2S and a molecular weight of 430.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID53158204
Molecular FormulaC20H16ClFN4O2S
Molecular Weight430.89 g/mol
Exact Mass430.07
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCc1nnc2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)c3ccc(F)cc3)cn12
InChIInChI=1S/C20H16ClFN4O2S/c1-14-23-24-20-11-10-19(13-25(14)20)29(27,28)26(18-8-6-17(22)7-9-18)12-15-2-4-16(21)5-3-15/h2-11,13H,12H2,1H3
InChIKeyGXBGSJOEBPTYTC-UHFFFAOYSA-N
XLogP4.23
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158254
N-(4-chlorophenyl)-N-(cyanomethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158252
N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158107
N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158136
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
N-[(4-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-methylacetamide
CID 30397568
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
ethyl 2-[1,3-benzodioxol-5-yl-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfonyl]amino]acetate
CID 53158152
2-[(4-chlorophenyl)methyl-[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-methylpropanamide
CID 132684937

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 53158204) is N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is Cc1nnc2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)c3ccc(F)cc3)cn12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is GXBGSJOEBPTYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O2S/c1-14-23-24-20-11-10-19(13-25(14)20)29(27,28)26(18-8-6-17(22)7-9-18)12-15-2-4-16(21)5-3-15/h2-11,13H,12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 430.89 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 53158204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).