4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide

C22H19ClN4O3S — CID 15991243

IUPAC4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCCOc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O3S/c1-2-30-20-10-6-5-9-19(20)26-21-22(25-18-8-4-3-7-17(18)24-21)27-31(28,29)16-13-11-15(23)12-14-16/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyCBCAZFAAJSBGAF-UHFFFAOYSA-N
MW454.94 g/mol
LogP5.23
Rot. Bonds7

About 4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide

4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 15991243) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is 4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID15991243
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC Name4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCCOc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O3S/c1-2-30-20-10-6-5-9-19(20)26-21-22(25-18-8-4-3-7-17(18)24-21)27-31(28,29)16-13-11-15(23)12-14-16/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyCBCAZFAAJSBGAF-UHFFFAOYSA-N
XLogP5.23
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.94
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide (CID 15991243) is 4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide is CCOc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is CBCAZFAAJSBGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c1-2-30-20-10-6-5-9-19(20)26-21-22(25-18-8-4-3-7-17(18)24-21)27-31(28,29)16-13-11-15(23)12-14-16/h3-14H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 454.94 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 15991243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).