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

C22H20N4O3S — CID 2002654

IUPACN-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N4O3S/c1-29-17-13-11-16(12-14-17)15-23-21-22(25-20-10-6-5-9-19(20)24-21)26-30(27,28)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,24)(H,25,26)
InChIKeyKKBDXYJFEJJXPW-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.05
Rot. Bonds7

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

N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 2002654) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID2002654
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N4O3S/c1-29-17-13-11-16(12-14-17)15-23-21-22(25-20-10-6-5-9-19(20)24-21)26-30(27,28)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,24)(H,25,26)
InChIKeyKKBDXYJFEJJXPW-UHFFFAOYSA-N
XLogP4.05
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1392277
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1405616
4-bromo-N-[3-[(4-fluorophenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 25045627
4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid
CID 20873702
N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 70906976
N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide
CID 133434691
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide
CID 166443739
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2025854
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide (CID 2002654) is N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide is COc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is KKBDXYJFEJJXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-29-17-13-11-16(12-14-17)15-23-21-22(25-20-10-6-5-9-19(20)24-21)26-30(27,28)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide?
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2002654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).