N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride

C17H14Cl2N6O2S — CID 42623384

IUPACN-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride
SMILESCl.Nc1nc2ccc(-c3cncc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cn2n1
InChIInChI=1S/C17H13ClN6O2S.ClH/c18-13-2-4-15(5-3-13)27(25,26)23-14-7-12(8-20-9-14)11-1-6-16-21-17(19)22-24(16)10-11;/h1-10,23H,(H2,19,22);1H
InChIKeyZCLKOTQRVOAXDI-UHFFFAOYSA-N
MW437.31 g/mol
LogP3.25
Rot. Bonds4

About N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride

N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride (PubChem CID 42623384) has the molecular formula C17H14Cl2N6O2S and a molecular weight of 437.31 g/mol. Its IUPAC name is N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride
PubChem CID42623384
Molecular FormulaC17H14Cl2N6O2S
Molecular Weight437.31 g/mol
Exact Mass436.03
IUPAC NameN-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride
SMILESCl.Nc1nc2ccc(-c3cncc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cn2n1
InChIInChI=1S/C17H13ClN6O2S.ClH/c18-13-2-4-15(5-3-13)27(25,26)23-14-7-12(8-20-9-14)11-1-6-16-21-17(19)22-24(16)10-11;/h1-10,23H,(H2,19,22);1H
InChIKeyZCLKOTQRVOAXDI-UHFFFAOYSA-N
XLogP3.25
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride with MolForge

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Related Compounds

N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 42623383
4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 11566395
6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556448
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 52936735
N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 52936734
N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 157323152
6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
CID 42624129
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propan-2-ylpyridine-3-sulfonamide
CID 44621441
4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide
CID 121223080
N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide
CID 141108026
4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 4149169
5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide
CID 123147795

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride (CID 42623384) is N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride is Cl.Nc1nc2ccc(-c3cncc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cn2n1.
What is the InChIKey of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride?
The InChIKey is ZCLKOTQRVOAXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2S.ClH/c18-13-2-4-15(5-3-13)27(25,26)23-14-7-12(8-20-9-14)11-1-6-16-21-17(19)22-24(16)10-11;/h1-10,23H,(H2,19,22);1H.
What are the key properties of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride?
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride has a molecular weight of 437.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 42623384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).