4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide

C21H17BrN4O3S — CID 2837515

IUPAC4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H17BrN4O3S/c1-29-16-10-8-15(9-11-16)23-20-21(25-19-5-3-2-4-18(19)24-20)26-30(27,28)17-12-6-14(22)7-13-17/h2-13H,1H3,(H,23,24)(H,25,26)
InChIKeyVXVOPTUILBSCOE-UHFFFAOYSA-N
MW485.36 g/mol
LogP4.95
Rot. Bonds6

About 4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide

4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 2837515) has the molecular formula C21H17BrN4O3S and a molecular weight of 485.36 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID2837515
Molecular FormulaC21H17BrN4O3S
Molecular Weight485.36 g/mol
Exact Mass484.02
IUPAC Name4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H17BrN4O3S/c1-29-16-10-8-15(9-11-16)23-20-21(25-19-5-3-2-4-18(19)24-20)26-30(27,28)17-12-6-14(22)7-13-17/h2-13H,1H3,(H,23,24)(H,25,26)
InChIKeyVXVOPTUILBSCOE-UHFFFAOYSA-N
XLogP4.95
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.36
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25047150
N-[3-(4-bromoanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1383319
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-[3-(4-bromo-2-methylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2033586
N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1400090
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2025854
3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 2068807
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
CID 56677086
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide (CID 2837515) is 4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide is COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is VXVOPTUILBSCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O3S/c1-29-16-10-8-15(9-11-16)23-20-21(25-19-5-3-2-4-18(19)24-20)26-30(27,28)17-12-6-14(22)7-13-17/h2-13H,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 485.36 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2837515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).