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

C22H19ClN4O4S — CID 1327266

IUPAC4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C22H19ClN4O4S/c1-30-19-12-9-15(13-20(19)31-2)24-21-22(26-18-6-4-3-5-17(18)25-21)27-32(28,29)16-10-7-14(23)8-11-16/h3-13H,1-2H3,(H,24,25)(H,26,27)
InChIKeyQRWZYIDNYQSCIM-UHFFFAOYSA-N
MW470.94 g/mol
LogP4.84
Rot. Bonds7

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

4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1327266) has the molecular formula C22H19ClN4O4S and a molecular weight of 470.94 g/mol. Its IUPAC name is 4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID1327266
Molecular FormulaC22H19ClN4O4S
Molecular Weight470.94 g/mol
Exact Mass470.08
IUPAC Name4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C22H19ClN4O4S/c1-30-19-12-9-15(13-20(19)31-2)24-21-22(26-18-6-4-3-5-17(18)25-21)27-32(28,29)16-10-7-14(23)8-11-16/h3-13H,1-2H3,(H,24,25)(H,26,27)
InChIKeyQRWZYIDNYQSCIM-UHFFFAOYSA-N
XLogP4.84
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.94
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide (CID 1327266) is 4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide is COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is QRWZYIDNYQSCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4S/c1-30-19-12-9-15(13-20(19)31-2)24-21-22(26-18-6-4-3-5-17(18)25-21)27-32(28,29)16-10-7-14(23)8-11-16/h3-13H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 470.94 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1327266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).