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

C23H22N4O4S — CID 1325622

IUPAC4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22N4O4S/c1-3-31-18-12-14-19(15-13-18)32(28,29)27-23-22(24-16-8-10-17(30-2)11-9-16)25-20-6-4-5-7-21(20)26-23/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyKEIWCOFCRXLSEL-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.58
Rot. Bonds8

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

4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1325622) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID1325622
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22N4O4S/c1-3-31-18-12-14-19(15-13-18)32(28,29)27-23-22(24-16-8-10-17(30-2)11-9-16)25-20-6-4-5-7-21(20)26-23/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyKEIWCOFCRXLSEL-UHFFFAOYSA-N
XLogP4.58
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-(3,5-Dimethoxyphenylamino)quinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 1627922
N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)-4-methylbenzenesulfonamide
CID 1327287
4-methoxy-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1636052
4-chloro-N-[3-(2-ethoxyanilino)-2-quinoxalinyl]-1-benzenesulfonamide
CID 15991243
N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
CID 801216
N-(4-(N-(3-((4-Methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)acetamide
CID 1241530
N-[4-({3-[(4-hydroxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]acetamide
CID 1896393
N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1898287
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
3-(4-methoxyphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56680410
4-N-[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56680419

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide (CID 1325622) is 4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is KEIWCOFCRXLSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-3-31-18-12-14-19(15-13-18)32(28,29)27-23-22(24-16-8-10-17(30-2)11-9-16)25-20-6-4-5-7-21(20)26-23/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 450.52 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1325622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).