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

C17H13ClN6O2S — CID 42623385

IUPACN-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide
SMILESNc1nc2ccc(-c3cncc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cn2n1
InChIInChI=1S/C17H13ClN6O2S/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)
InChIKeyVOKYCRGMSIJYCW-UHFFFAOYSA-N
MW400.85 g/mol
LogP2.83
Rot. Bonds4

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

N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide (PubChem CID 42623385) has the molecular formula C17H13ClN6O2S and a molecular weight of 400.85 g/mol. Its IUPAC name is N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide
PubChem CID42623385
Molecular FormulaC17H13ClN6O2S
Molecular Weight400.85 g/mol
Exact Mass400.05
IUPAC NameN-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide
SMILESNc1nc2ccc(-c3cncc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cn2n1
InChIInChI=1S/C17H13ClN6O2S/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)
InChIKeyVOKYCRGMSIJYCW-UHFFFAOYSA-N
XLogP2.83
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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?
The IUPAC name of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide (CID 42623385) is N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide is 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?
The InChIKey is VOKYCRGMSIJYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2S/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).
What are the key properties of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide?
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide has a molecular weight of 400.85 g/mol, XLogP of 2.83, 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 is sourced from PubChem (CID 42623385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).