4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide

C19H17N5O2S — CID 90908307

IUPAC4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C19H17N5O2S/c1-20-27(25,26)16-12-10-14(11-13-16)17-8-5-9-18-22-19(23-24(17)18)21-15-6-3-2-4-7-15/h2-13,20H,1H3,(H,21,23)
InChIKeyCCGOBNRHALMEIU-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.05
Rot. Bonds5

About 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide

4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide (PubChem CID 90908307) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide
PubChem CID90908307
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C19H17N5O2S/c1-20-27(25,26)16-12-10-14(11-13-16)17-8-5-9-18-22-19(23-24(17)18)21-15-6-3-2-4-7-15/h2-13,20H,1H3,(H,21,23)
InChIKeyCCGOBNRHALMEIU-UHFFFAOYSA-N
XLogP3.05
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide
CID 91110193
5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276560
5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186476
N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91017506
5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276394
5-(4-fluorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916172
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
CID 67293656
5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186392
N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
CID 59186272
5-(4-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44624158
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589968

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide (CID 90908307) is 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1.
What is the InChIKey of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide?
The InChIKey is CCGOBNRHALMEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-20-27(25,26)16-12-10-14(11-13-16)17-8-5-9-18-22-19(23-24(17)18)21-15-6-3-2-4-7-15/h2-13,20H,1H3,(H,21,23).
What are the key properties of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide?
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide has a molecular weight of 379.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 90908307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).