3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide

C23H22N4O2S — CID 1392277

IUPAC3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
SMILESCc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C23H22N4O2S/c1-16-10-12-18(13-11-16)15-24-22-23(26-21-9-4-3-8-20(21)25-22)27-30(28,29)19-7-5-6-17(2)14-19/h3-14H,15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeySRJPFDRXSWWNQL-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.66
Rot. Bonds6

About 3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide

3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1392277) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID1392277
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
SMILESCc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C23H22N4O2S/c1-16-10-12-18(13-11-16)15-24-22-23(26-21-9-4-3-8-20(21)25-22)27-30(28,29)19-7-5-6-17(2)14-19/h3-14H,15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeySRJPFDRXSWWNQL-UHFFFAOYSA-N
XLogP4.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 1402552
N-[3-(3-bromoanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 2010811
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982764
4-bromo-N-[3-[(4-fluorophenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 25045627
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2921932
N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 1399255
4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid
CID 20873702
3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide (CID 1392277) is 3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide is Cc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is SRJPFDRXSWWNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-16-10-12-18(13-11-16)15-24-22-23(26-21-9-4-3-8-20(21)25-22)27-30(28,29)19-7-5-6-17(2)14-19/h3-14H,15H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide?
3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1392277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).