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

C22H21FN4O3S — CID 53153359

IUPACN-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESCCc1ccc(N(Cc2ccc(OC)c(F)c2)S(=O)(=O)c2cccn3cnnc23)cc1
InChIInChI=1S/C22H21FN4O3S/c1-3-16-6-9-18(10-7-16)27(14-17-8-11-20(30-2)19(23)13-17)31(28,29)21-5-4-12-26-15-24-25-22(21)26/h4-13,15H,3,14H2,1-2H3
InChIKeyJWXVTJSVRNZABJ-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.83
Rot. Bonds7

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

N-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (PubChem CID 53153359) has the molecular formula C22H21FN4O3S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
PubChem CID53153359
Molecular FormulaC22H21FN4O3S
Molecular Weight440.50 g/mol
Exact Mass440.13
IUPAC NameN-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESCCc1ccc(N(Cc2ccc(OC)c(F)c2)S(=O)(=O)c2cccn3cnnc23)cc1
InChIInChI=1S/C22H21FN4O3S/c1-3-16-6-9-18(10-7-16)27(14-17-8-11-20(30-2)19(23)13-17)31(28,29)21-5-4-12-26-15-24-25-22(21)26/h4-13,15H,3,14H2,1-2H3
InChIKeyJWXVTJSVRNZABJ-UHFFFAOYSA-N
XLogP3.83
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-difluorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 53153386
N-[(3,5-difluorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 53153356
N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 53153357
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46022510
N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 53153339
N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 42841963
2-chloro-N-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46022483
N-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162650214
N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46023083
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
N-benzyl-N-(3,5-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 53153424

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (CID 53153359) is N-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is CCc1ccc(N(Cc2ccc(OC)c(F)c2)S(=O)(=O)c2cccn3cnnc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The InChIKey is JWXVTJSVRNZABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3S/c1-3-16-6-9-18(10-7-16)27(14-17-8-11-20(30-2)19(23)13-17)31(28,29)21-5-4-12-26-15-24-25-22(21)26/h4-13,15H,3,14H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
N-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide has a molecular weight of 440.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is sourced from PubChem (CID 53153359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).