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

C22H22N4O3S — CID 53158107

IUPACN-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCOc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1
InChIInChI=1S/C22H22N4O3S/c1-16-4-8-19(9-5-16)26(14-18-6-10-20(29-3)11-7-18)30(27,28)21-12-13-22-24-23-17(2)25(22)15-21/h4-13,15H,14H2,1-3H3
InChIKeyYKKOLIDFUQBUDH-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.75
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 53158107) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID53158107
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCOc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1
InChIInChI=1S/C22H22N4O3S/c1-16-4-8-19(9-5-16)26(14-18-6-10-20(29-3)11-7-18)30(27,28)21-12-13-22-24-23-17(2)25(22)15-21/h4-13,15H,14H2,1-3H3
InChIKeyYKKOLIDFUQBUDH-UHFFFAOYSA-N
XLogP3.75
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide with MolForge

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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)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158204
N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158136
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
N-(4-chlorophenyl)-N-(cyanomethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158252
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 18079652
N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 55647315
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 53158107) is N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is YKKOLIDFUQBUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-16-4-8-19(9-5-16)26(14-18-6-10-20(29-3)11-7-18)30(27,28)21-12-13-22-24-23-17(2)25(22)15-21/h4-13,15H,14H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 422.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 53158107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).