3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide

C22H19ClN4O3S — CID 1403080

IUPAC3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19ClN4O3S/c1-2-30-17-12-10-16(11-13-17)24-21-22(26-20-9-4-3-8-19(20)25-21)27-31(28,29)18-7-5-6-15(23)14-18/h3-14H,2H2,1H3,(H,24,25)(H,26,27)
InChIKeyVVHPHOUODLAZMB-UHFFFAOYSA-N
MW454.94 g/mol
LogP5.23
Rot. Bonds7

About 3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide

3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1403080) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is 3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID1403080
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC Name3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19ClN4O3S/c1-2-30-17-12-10-16(11-13-17)24-21-22(26-20-9-4-3-8-19(20)25-21)27-31(28,29)18-7-5-6-15(23)14-18/h3-14H,2H2,1H3,(H,24,25)(H,26,27)
InChIKeyVVHPHOUODLAZMB-UHFFFAOYSA-N
XLogP5.23
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.94
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916
3-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1413527
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
3-[[3-[(3-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 1401039
3-chloro-N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474827
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
4-chloro-N-[3-(naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1050498

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide (CID 1403080) is 3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide is CCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is VVHPHOUODLAZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c1-2-30-17-12-10-16(11-13-17)24-21-22(26-20-9-4-3-8-19(20)25-21)27-31(28,29)18-7-5-6-15(23)14-18/h3-14H,2H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 454.94 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1403080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).