N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide

C23H22N4O2S — CID 1402552

IUPACN-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
SMILESCCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/C23H22N4O2S/c1-3-17-9-7-10-18(15-17)24-22-23(26-21-13-5-4-12-20(21)25-22)27-30(28,29)19-11-6-8-16(2)14-19/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyIZFZEPARVQUEQT-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.05
Rot. Bonds6

About N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide

N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide (PubChem CID 1402552) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
PubChem CID1402552
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
SMILESCCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/C23H22N4O2S/c1-3-17-9-7-10-18(15-17)24-22-23(26-21-13-5-4-12-20(21)25-22)27-30(28,29)19-11-6-8-16(2)14-19/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyIZFZEPARVQUEQT-UHFFFAOYSA-N
XLogP5.05
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-bromoanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 2010811
N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 1399255
N-[3-(4-ethylanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1398671
3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1392277
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25027721
ethyl 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 1402949
4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25047150
3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1403080

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide (CID 1402552) is N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide is CCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)c1.
What is the InChIKey of N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide?
The InChIKey is IZFZEPARVQUEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-3-17-9-7-10-18(15-17)24-22-23(26-21-13-5-4-12-20(21)25-22)27-30(28,29)19-11-6-8-16(2)14-19/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide?
N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 1402552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).