N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide

C22H20N4O2S — CID 1325943

IUPACN-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H20N4O2S/c1-15-12-16(2)14-17(13-15)23-21-22(25-20-11-7-6-10-19(20)24-21)26-29(27,28)18-8-4-3-5-9-18/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeySHJURSMDCZMNKP-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.79
Rot. Bonds5

About N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide

N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1325943) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID1325943
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H20N4O2S/c1-15-12-16(2)14-17(13-15)23-21-22(25-20-11-7-6-10-19(20)24-21)26-29(27,28)18-8-4-3-5-9-18/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeySHJURSMDCZMNKP-UHFFFAOYSA-N
XLogP4.79
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25047150
3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide
CID 1400516
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(3-bromoanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 2010811
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25027721
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide (CID 1325943) is N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide is Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is SHJURSMDCZMNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-15-12-16(2)14-17(13-15)23-21-22(25-20-11-7-6-10-19(20)24-21)26-29(27,28)18-8-4-3-5-9-18/h3-14H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1325943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).