4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide

C22H19BrN4O2S — CID 25047150

IUPAC4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C22H19BrN4O2S/c1-14-11-15(2)13-17(12-14)24-21-22(26-20-6-4-3-5-19(20)25-21)27-30(28,29)18-9-7-16(23)8-10-18/h3-13H,1-2H3,(H,24,25)(H,26,27)
InChIKeyQSAMADRLDJHOLR-UHFFFAOYSA-N
MW483.39 g/mol
LogP5.55
Rot. Bonds5

About 4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide

4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 25047150) has the molecular formula C22H19BrN4O2S and a molecular weight of 483.39 g/mol. Its IUPAC name is 4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID25047150
Molecular FormulaC22H19BrN4O2S
Molecular Weight483.39 g/mol
Exact Mass482.04
IUPAC Name4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C22H19BrN4O2S/c1-14-11-15(2)13-17(12-14)24-21-22(26-20-6-4-3-5-19(20)25-21)27-30(28,29)18-9-7-16(23)8-10-18/h3-13H,1-2H3,(H,24,25)(H,26,27)
InChIKeyQSAMADRLDJHOLR-UHFFFAOYSA-N
XLogP5.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.39
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-[3-(4-bromoanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1383319
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
4-bromo-N-[3-(2,4-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25046088
3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
N-[3-(3-bromoanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 2010811
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide
CID 1400516
N-[3-(4-bromo-2-methylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2033586
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide (CID 25047150) is 4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide is Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is QSAMADRLDJHOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O2S/c1-14-11-15(2)13-17(12-14)24-21-22(26-20-6-4-3-5-19(20)25-21)27-30(28,29)18-9-7-16(23)8-10-18/h3-13H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 483.39 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 25047150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).