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

C23H24N4O2S — CID 53153339

IUPACN-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESCc1cc(C)cc(N(Cc2cc(C)ccc2C)S(=O)(=O)c2cccn3cnnc23)c1
InChIInChI=1S/C23H24N4O2S/c1-16-7-8-19(4)20(11-16)14-27(21-12-17(2)10-18(3)13-21)30(28,29)22-6-5-9-26-15-24-25-23(22)26/h5-13,15H,14H2,1-4H3
InChIKeyPDYPIMWDKCMXRH-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.36
Rot. Bonds5

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

N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (PubChem CID 53153339) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
PubChem CID53153339
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESCc1cc(C)cc(N(Cc2cc(C)ccc2C)S(=O)(=O)c2cccn3cnnc23)c1
InChIInChI=1S/C23H24N4O2S/c1-16-7-8-19(4)20(11-16)14-27(21-12-17(2)10-18(3)13-21)30(28,29)22-6-5-9-26-15-24-25-23(22)26/h5-13,15H,14H2,1-4H3
InChIKeyPDYPIMWDKCMXRH-UHFFFAOYSA-N
XLogP4.36
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (CID 53153339) is N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is Cc1cc(C)cc(N(Cc2cc(C)ccc2C)S(=O)(=O)c2cccn3cnnc23)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The InChIKey is PDYPIMWDKCMXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-16-7-8-19(4)20(11-16)14-27(21-12-17(2)10-18(3)13-21)30(28,29)22-6-5-9-26-15-24-25-23(22)26/h5-13,15H,14H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide has a molecular weight of 420.54 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is sourced from PubChem (CID 53153339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).