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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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).