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

C22H20N4O4S — CID 1397710

IUPAC4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2OC)cc1
InChIInChI=1S/C22H20N4O4S/c1-29-15-11-13-16(14-12-15)31(27,28)26-22-21(23-17-7-3-4-8-18(17)24-22)25-19-9-5-6-10-20(19)30-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyNZCNXBSFGWWIAA-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.19
Rot. Bonds7

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

4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1397710) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID1397710
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2OC)cc1
InChIInChI=1S/C22H20N4O4S/c1-29-15-11-13-16(14-12-15)31(27,28)26-22-21(23-17-7-3-4-8-18(17)24-22)25-19-9-5-6-10-20(19)30-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyNZCNXBSFGWWIAA-UHFFFAOYSA-N
XLogP4.19
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide (CID 1397710) is 4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2OC)cc1.
What is the InChIKey of 4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is NZCNXBSFGWWIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-29-15-11-13-16(14-12-15)31(27,28)26-22-21(23-17-7-3-4-8-18(17)24-22)25-19-9-5-6-10-20(19)30-2/h3-14H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 436.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1397710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).