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

C23H22N4O4S — CID 1327287

IUPACN-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C23H22N4O4S/c1-15-8-11-17(12-9-15)32(28,29)27-23-22(24-18-6-4-5-7-19(18)25-23)26-20-13-10-16(30-2)14-21(20)31-3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyOAYQDHVPLZMUFL-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.50
Rot. Bonds7

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

N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 1327287) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
PubChem CID1327287
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C23H22N4O4S/c1-15-8-11-17(12-9-15)32(28,29)27-23-22(24-18-6-4-5-7-19(18)25-23)26-20-13-10-16(30-2)14-21(20)31-3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyOAYQDHVPLZMUFL-UHFFFAOYSA-N
XLogP4.50
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide (CID 1327287) is N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide is COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is OAYQDHVPLZMUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-15-8-11-17(12-9-15)32(28,29)27-23-22(24-18-6-4-5-7-19(18)25-23)26-20-13-10-16(30-2)14-21(20)31-3/h4-14H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide?
N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 450.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1327287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).