4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

C25H22N6O5S2 — CID 2328420

IUPAC4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccccc3)cc2)c1C
InChIInChI=1S/C25H22N6O5S2/c1-16-17(2)29-36-25(16)31-38(34,35)20-14-12-18(13-15-20)26-23-24(28-22-11-7-6-10-21(22)27-23)30-37(32,33)19-8-4-3-5-9-19/h3-15,31H,1-2H3,(H,26,27)(H,28,30)
InChIKeyVYHMHXQEHWCUMF-UHFFFAOYSA-N
MW550.62 g/mol
LogP4.58
Rot. Bonds8

About 4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 2328420) has the molecular formula C25H22N6O5S2 and a molecular weight of 550.62 g/mol. Its IUPAC name is 4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID2328420
Molecular FormulaC25H22N6O5S2
Molecular Weight550.62 g/mol
Exact Mass550.11
IUPAC Name4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccccc3)cc2)c1C
InChIInChI=1S/C25H22N6O5S2/c1-16-17(2)29-36-25(16)31-38(34,35)20-14-12-18(13-15-20)26-23-24(28-22-11-7-6-10-21(22)27-23)30-37(32,33)19-8-4-3-5-9-19/h3-15,31H,1-2H3,(H,26,27)(H,28,30)
InChIKeyVYHMHXQEHWCUMF-UHFFFAOYSA-N
XLogP4.58
TPSA156.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.62
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide with MolForge

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Related Compounds

N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
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-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 1107623
4-[(5-cyano-2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 82309079
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 3841697
1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-phenoxyphenyl)thiourea
CID 25035426
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 2328420) is 4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccccc3)cc2)c1C.
What is the InChIKey of 4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is VYHMHXQEHWCUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O5S2/c1-16-17(2)29-36-25(16)31-38(34,35)20-14-12-18(13-15-20)26-23-24(28-22-11-7-6-10-21(22)27-23)30-37(32,33)19-8-4-3-5-9-19/h3-15,31H,1-2H3,(H,26,27)(H,28,30).
What are the key properties of 4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 550.62 g/mol, XLogP of 4.58, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 2328420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).