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

C22H19ClN4O2S — CID 1400465

IUPAC3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C22H19ClN4O2S/c1-14-10-15(2)12-17(11-14)24-21-22(26-20-9-4-3-8-19(20)25-21)27-30(28,29)18-7-5-6-16(23)13-18/h3-13H,1-2H3,(H,24,25)(H,26,27)
InChIKeyRGWIIQJIRDMGMD-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.44
Rot. Bonds5

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

3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1400465) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is 3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID1400465
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC Name3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C22H19ClN4O2S/c1-14-10-15(2)12-17(11-14)24-21-22(26-20-9-4-3-8-19(20)25-21)27-30(28,29)18-7-5-6-16(23)13-18/h3-13H,1-2H3,(H,24,25)(H,26,27)
InChIKeyRGWIIQJIRDMGMD-UHFFFAOYSA-N
XLogP5.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
3-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1413527
3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1403080
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25047150
3-[[3-[(3-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 1401039
N-[3-(3-bromoanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 2010811
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
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide (CID 1400465) is 3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide is Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is RGWIIQJIRDMGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-14-10-15(2)12-17(11-14)24-21-22(26-20-9-4-3-8-19(20)25-21)27-30(28,29)18-7-5-6-16(23)13-18/h3-13H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 438.94 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1400465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).