4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide

C18H14ClN5O3S — CID 46892005

IUPAC4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cc1
InChIInChI=1S/C18H14ClN5O3S/c19-16-7-4-13(25)9-15(16)11-1-8-17-22-18(23-24(17)10-11)21-12-2-5-14(6-3-12)28(20,26)27/h1-10,25H,(H,21,23)(H2,20,26,27)
InChIKeyCOTGLRCWUCISBD-UHFFFAOYSA-N
MW415.86 g/mol
LogP3.15
Rot. Bonds4

About 4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide

4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide (PubChem CID 46892005) has the molecular formula C18H14ClN5O3S and a molecular weight of 415.86 g/mol. Its IUPAC name is 4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
PubChem CID46892005
Molecular FormulaC18H14ClN5O3S
Molecular Weight415.86 g/mol
Exact Mass415.05
IUPAC Name4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cc1
InChIInChI=1S/C18H14ClN5O3S/c19-16-7-4-13(25)9-15(16)11-1-8-17-22-18(23-24(17)10-11)21-12-2-5-14(6-3-12)28(20,26)27/h1-10,25H,(H,21,23)(H2,20,26,27)
InChIKeyCOTGLRCWUCISBD-UHFFFAOYSA-N
XLogP3.15
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide (CID 46892005) is 4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cc1.
What is the InChIKey of 4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide?
The InChIKey is COTGLRCWUCISBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O3S/c19-16-7-4-13(25)9-15(16)11-1-8-17-22-18(23-24(17)10-11)21-12-2-5-14(6-3-12)28(20,26)27/h1-10,25H,(H,21,23)(H2,20,26,27).
What are the key properties of 4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide?
4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide has a molecular weight of 415.86 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 46892005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).