4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid

C21H15FN4O4S — CID 1399269

IUPAC4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H15FN4O4S/c22-14-7-11-16(12-8-14)31(29,30)26-20-19(24-17-3-1-2-4-18(17)25-20)23-15-9-5-13(6-10-15)21(27)28/h1-12H,(H,23,24)(H,25,26)(H,27,28)
InChIKeyPIULBZSENAIQJZ-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.01
Rot. Bonds6

About 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid

4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid (PubChem CID 1399269) has the molecular formula C21H15FN4O4S and a molecular weight of 438.44 g/mol. Its IUPAC name is 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
PubChem CID1399269
Molecular FormulaC21H15FN4O4S
Molecular Weight438.44 g/mol
Exact Mass438.08
IUPAC Name4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H15FN4O4S/c22-14-7-11-16(12-8-14)31(29,30)26-20-19(24-17-3-1-2-4-18(17)25-20)23-15-9-5-13(6-10-15)21(27)28/h1-12H,(H,23,24)(H,25,26)(H,27,28)
InChIKeyPIULBZSENAIQJZ-UHFFFAOYSA-N
XLogP4.01
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(quinoxalin-2-ylamino)benzoic Acid
CID 3547215
Ethyl 4-[(3-{[(4-chlorophenyl)sulfonyl]amino}quinoxalin-2-yl)amino]benzoate
CID 4459676
4-{[3-(4-Chlorobenzenesulfonamido)-7-methylquinoxalin-2-YL]amino}benzoic acid
CID 15991147
4-[[3-[(4-Acetamidophenyl)sulfonylamino]quinoxalin-2-yl]amino]-2-hydroxybenzoic acid
CID 1830951
4-((3-(Thiophene-2-sulfonamido)quinoxalin-2-yl)amino)benzoic acid
CID 1614487
3-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic Acid
CID 1395652
3-((3-(Phenylsulfonamido)quinoxalin-2-yl)amino)benzoic acid
CID 1982333
Ethyl 4-[[3-(4-ethoxycarbonylanilino)quinoxalin-2-yl]amino]benzoate
CID 468694
3-[[3-[(3-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic Acid
CID 1390606
3-(Cyclohexylamino)-2-phenylquinoxaline-6-carboxylic acid
CID 50991020
2-(4-Fluorophenyl)-3-(methyl(piperidin-4-yl)amino)quinoxaline-6-carboxylic acid
CID 50991568
3-(4-(Methylsulfonyl)piperazin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 50992302

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid (CID 1399269) is 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid?
The InChIKey is PIULBZSENAIQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O4S/c22-14-7-11-16(12-8-14)31(29,30)26-20-19(24-17-3-1-2-4-18(17)25-20)23-15-9-5-13(6-10-15)21(27)28/h1-12H,(H,23,24)(H,25,26)(H,27,28).
What are the key properties of 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid?
4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid has a molecular weight of 438.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid is sourced from PubChem (CID 1399269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).