4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid

C20H15N5O5S — CID 139457094

IUPAC4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(O)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C20H15N5O5S/c26-12-7-8-14(20(27)28)17(10-12)24-18-19(23-16-6-2-1-5-15(16)22-18)25-31(29,30)13-4-3-9-21-11-13/h1-11,26H,(H,22,24)(H,23,25)(H,27,28)
InChIKeyBFRVMEUXTHEANL-UHFFFAOYSA-N
MW437.44 g/mol
LogP2.97
Rot. Bonds6

About 4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid

4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid (PubChem CID 139457094) has the molecular formula C20H15N5O5S and a molecular weight of 437.44 g/mol. Its IUPAC name is 4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid
PubChem CID139457094
Molecular FormulaC20H15N5O5S
Molecular Weight437.44 g/mol
Exact Mass437.08
IUPAC Name4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(O)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C20H15N5O5S/c26-12-7-8-14(20(27)28)17(10-12)24-18-19(23-16-6-2-1-5-15(16)22-18)25-31(29,30)13-4-3-9-21-11-13/h1-11,26H,(H,22,24)(H,23,25)(H,27,28)
InChIKeyBFRVMEUXTHEANL-UHFFFAOYSA-N
XLogP2.97
TPSA154.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid with MolForge

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Related Compounds

CID 68699737
CID 68699737
N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
CID 24993117
N-[3-(2-chloro-5-hydroxyanilino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide
CID 57448691
2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid
CID 69052757
3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
CID 43443006
2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid
CID 115296023
N-(3,6-dichloroquinoxalin-2-yl)pyridine-3-sulfonamide
CID 142780141
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide
CID 59249030
4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
CID 24709903

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid?
The IUPAC name of 4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid (CID 139457094) is 4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid is O=C(O)c1ccc(O)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of 4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid?
The InChIKey is BFRVMEUXTHEANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O5S/c26-12-7-8-14(20(27)28)17(10-12)24-18-19(23-16-6-2-1-5-15(16)22-18)25-31(29,30)13-4-3-9-21-11-13/h1-11,26H,(H,22,24)(H,23,25)(H,27,28).
What are the key properties of 4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid?
4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid has a molecular weight of 437.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid is sourced from PubChem (CID 139457094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).