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

C22H20N4O4S — CID 1325793

IUPACN-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H20N4O4S/c1-29-19-13-12-15(14-20(19)30-2)23-21-22(25-18-11-7-6-10-17(18)24-21)26-31(27,28)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeyLKFLSHGITZKJMY-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.19
Rot. Bonds7

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

N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1325793) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID1325793
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC NameN-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H20N4O4S/c1-29-19-13-12-15(14-20(19)30-2)23-21-22(25-18-11-7-6-10-17(18)24-21)26-31(27,28)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeyLKFLSHGITZKJMY-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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Related Compounds

N-(3-(3,5-Dimethoxyphenylamino)quinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 1627922
4-methoxy-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1636052
N-(4-(N-(3-((4-Methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)acetamide
CID 1241530
N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1898287
4-chloro-N-{3-[(3-methoxyphenyl)amino]-6-methylquinoxalin-2-yl}benzenesulfonamide
CID 4271420
(6,7-Dimethoxy-quinoxalin-2-yl)-phenyl-amine
CID 9903852
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide
CID 16036739
3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
CID 56659927
3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
CID 56670251
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
3-(benzenesulfonyl)-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 56680380
3-[[3-(4-Methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol
CID 56683747

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide (CID 1325793) is N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide is COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is LKFLSHGITZKJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-29-19-13-12-15(14-20(19)30-2)23-21-22(25-18-11-7-6-10-17(18)24-21)26-31(27,28)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(3,4-dimethoxyanilino)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 N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1325793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).