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

C15H14N4O4S — CID 23474125

IUPAC3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid
SMILESC[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1nnc2ccccn12
InChIInChI=1S/C15H14N4O4S/c1-10(14-17-16-13-7-2-3-8-19(13)14)18-24(22,23)12-6-4-5-11(9-12)15(20)21/h2-10,18H,1H3,(H,20,21)/t10-/m0/s1
InChIKeyKROGQSNYVBQXJM-JTQLQIEISA-N
MW346.37 g/mol
LogP1.47
Rot. Bonds5

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

3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid (PubChem CID 23474125) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid
PubChem CID23474125
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid
SMILESC[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1nnc2ccccn12
InChIInChI=1S/C15H14N4O4S/c1-10(14-17-16-13-7-2-3-8-19(13)14)18-24(22,23)12-6-4-5-11(9-12)15(20)21/h2-10,18H,1H3,(H,20,21)/t10-/m0/s1
InChIKeyKROGQSNYVBQXJM-JTQLQIEISA-N
XLogP1.47
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid with MolForge

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Related Compounds

3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 7693751
3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylsulfamoyl]benzoic acid
CID 23474295
3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 16768421
2-methyl-6-nitro-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide
CID 95974571
N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 23474131
3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372085
3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
3-[(1-carboxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 3476550
4-oxo-4-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247765
3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 97055792
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 134030807
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid?
The IUPAC name of 3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid (CID 23474125) is 3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid is C[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1nnc2ccccn12.
What is the InChIKey of 3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid?
The InChIKey is KROGQSNYVBQXJM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-10(14-17-16-13-7-2-3-8-19(13)14)18-24(22,23)12-6-4-5-11(9-12)15(20)21/h2-10,18H,1H3,(H,20,21)/t10-/m0/s1.
What are the key properties of 3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid?
3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid has a molecular weight of 346.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 23474125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).