3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid

C15H14N4O4S — CID 23474295

IUPAC3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCc2nnc3ccccn23)c1
InChIInChI=1S/C15H14N4O4S/c20-15(21)11-4-3-5-12(10-11)24(22,23)16-8-7-14-18-17-13-6-1-2-9-19(13)14/h1-6,9-10,16H,7-8H2,(H,20,21)
InChIKeyVDRBJTDNSXXRLN-UHFFFAOYSA-N
MW346.37 g/mol
LogP0.95
Rot. Bonds6

About 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid

3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid (PubChem CID 23474295) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid
PubChem CID23474295
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCc2nnc3ccccn23)c1
InChIInChI=1S/C15H14N4O4S/c20-15(21)11-4-3-5-12(10-11)24(22,23)16-8-7-14-18-17-13-6-1-2-9-19(13)14/h1-6,9-10,16H,7-8H2,(H,20,21)
InChIKeyVDRBJTDNSXXRLN-UHFFFAOYSA-N
XLogP0.95
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 46671326
4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide
CID 91947514
3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid
CID 23474125
3-(propylsulfamoyl)benzoic acid
CID 2442822
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide
CID 64592335
3-phenoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17448491
3-(methanesulfonamido)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 37212641
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid
CID 167955743
3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83202394
1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 134014213
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]butanoic acid
CID 115352247

Frequently Asked Questions

What is the IUPAC name of 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid (CID 23474295) is 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)NCCc2nnc3ccccn23)c1.
What is the InChIKey of 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid?
The InChIKey is VDRBJTDNSXXRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c20-15(21)11-4-3-5-12(10-11)24(22,23)16-8-7-14-18-17-13-6-1-2-9-19(13)14/h1-6,9-10,16H,7-8H2,(H,20,21).
What are the key properties of 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid?
3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid has a molecular weight of 346.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 23474295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).