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

C22H19ClN4O2S — CID 25040610

IUPAC4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H19ClN4O2S/c1-14-7-8-15(2)20(13-14)26-21-22(25-19-6-4-3-5-18(19)24-21)27-30(28,29)17-11-9-16(23)10-12-17/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyUTGVXNQIYIPFLC-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.44
Rot. Bonds5

About 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide

4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 25040610) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID25040610
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC Name4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H19ClN4O2S/c1-14-7-8-15(2)20(13-14)26-21-22(25-19-6-4-3-5-18(19)24-21)27-30(28,29)17-11-9-16(23)10-12-17/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyUTGVXNQIYIPFLC-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

4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2398817
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
4-bromo-N-[3-(2,4-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25046088
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1399792
4-chloro-N-[3-(naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1050498
4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1024035
3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25047150
4-chloro-N-[3-[4-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 1389033
N-[3-[4-(diethylsulfamoyl)anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2319111

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide (CID 25040610) is 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide is Cc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is UTGVXNQIYIPFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-14-7-8-15(2)20(13-14)26-21-22(25-19-6-4-3-5-18(19)24-21)27-30(28,29)17-11-9-16(23)10-12-17/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide?
4-chloro-N-[3-(2,5-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 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 25040610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).