N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide

C23H22N4O3S — CID 1383356

IUPACN-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H22N4O3S/c1-15-8-9-17(14-16(15)2)24-22-23(26-21-7-5-4-6-20(21)25-22)27-31(28,29)19-12-10-18(30-3)11-13-19/h4-14H,1-3H3,(H,24,25)(H,26,27)
InChIKeyTWSUTIJOHNHQHN-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.80
Rot. Bonds6

About N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide

N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 1383356) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
PubChem CID1383356
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H22N4O3S/c1-15-8-9-17(14-16(15)2)24-22-23(26-21-7-5-4-6-20(21)25-22)27-31(28,29)19-12-10-18(30-3)11-13-19/h4-14H,1-3H3,(H,24,25)(H,26,27)
InChIKeyTWSUTIJOHNHQHN-UHFFFAOYSA-N
XLogP4.80
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
N-[3-(3-fluoro-4-methylanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1399157
N-[3-(4-bromoanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1383319
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1383338
3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 2068807
N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 57448451
N-[3-(4-ethylanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1398671
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-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide (CID 1383356) is N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is TWSUTIJOHNHQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15-8-9-17(14-16(15)2)24-22-23(26-21-7-5-4-6-20(21)25-22)27-31(28,29)19-12-10-18(30-3)11-13-19/h4-14H,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1383356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).