4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid

C24H20N4O5S — CID 58274233

IUPAC4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N4O5S/c29-21(14-15-22(30)31)16-10-12-17(13-11-16)25-23-24(27-20-9-5-4-8-19(20)26-23)28-34(32,33)18-6-2-1-3-7-18/h1-13H,14-15H2,(H,25,26)(H,27,28)(H,30,31)
InChIKeyYOJFSRQPZBYBPN-UHFFFAOYSA-N
MW476.51 g/mol
LogP4.22
Rot. Bonds9

About 4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid

4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid (PubChem CID 58274233) has the molecular formula C24H20N4O5S and a molecular weight of 476.51 g/mol. Its IUPAC name is 4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid
PubChem CID58274233
Molecular FormulaC24H20N4O5S
Molecular Weight476.51 g/mol
Exact Mass476.12
IUPAC Name4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N4O5S/c29-21(14-15-22(30)31)16-10-12-17(13-11-16)25-23-24(27-20-9-5-4-8-19(20)26-23)28-34(32,33)18-6-2-1-3-7-18/h1-13H,14-15H2,(H,25,26)(H,27,28)(H,30,31)
InChIKeyYOJFSRQPZBYBPN-UHFFFAOYSA-N
XLogP4.22
TPSA138.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid with MolForge

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Related Compounds

N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 143628844
N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 3841697
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 2328420
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid (CID 58274233) is 4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid is O=C(O)CCC(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid?
The InChIKey is YOJFSRQPZBYBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5S/c29-21(14-15-22(30)31)16-10-12-17(13-11-16)25-23-24(27-20-9-5-4-8-19(20)26-23)28-34(32,33)18-6-2-1-3-7-18/h1-13H,14-15H2,(H,25,26)(H,27,28)(H,30,31).
What are the key properties of 4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid?
4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid has a molecular weight of 476.51 g/mol, XLogP of 4.22, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid is sourced from PubChem (CID 58274233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).