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

C21H17N5O4S — CID 143628844

IUPAC4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
SMILESNc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C21H17N5O4S/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,22H2,(H,23,24)(H,25,26)(H,27,28)
InChIKeyQHPNXVTXJYFMBW-UHFFFAOYSA-N
MW435.47 g/mol
LogP3.45
Rot. Bonds6

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

4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid (PubChem CID 143628844) has the molecular formula C21H17N5O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is 4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
PubChem CID143628844
Molecular FormulaC21H17N5O4S
Molecular Weight435.47 g/mol
Exact Mass435.10
IUPAC Name4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
SMILESNc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C21H17N5O4S/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,22H2,(H,23,24)(H,25,26)(H,27,28)
InChIKeyQHPNXVTXJYFMBW-UHFFFAOYSA-N
XLogP3.45
TPSA147.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid
CID 58274233
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
4-chloro-N-[3-[4-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 1389033
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid
CID 20873702
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
3-[[3-[(3-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 1401039
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 3841697

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid (CID 143628844) is 4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid is Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid?
The InChIKey is QHPNXVTXJYFMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4S/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,22H2,(H,23,24)(H,25,26)(H,27,28).
What are the key properties of 4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid?
4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid has a molecular weight of 435.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid is sourced from PubChem (CID 143628844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).