2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide

C24H20ClN5O3S — CID 67403076

IUPAC2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCC(C)(C#N)C(Oc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1Cl)c1cccnc1
InChIInChI=1S/C24H20ClN5O3S/c1-24(2,15-26)21(16-8-7-13-27-14-16)33-23-22(28-18-10-4-5-11-19(18)29-23)30-34(31,32)20-12-6-3-9-17(20)25/h3-14,21H,1-2H3,(H,28,30)
InChIKeyVJXMNOZLMQGSIE-UHFFFAOYSA-N
MW493.98 g/mol
LogP5.15
Rot. Bonds7

About 2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide

2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 67403076) has the molecular formula C24H20ClN5O3S and a molecular weight of 493.98 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
PubChem CID67403076
Molecular FormulaC24H20ClN5O3S
Molecular Weight493.98 g/mol
Exact Mass493.10
IUPAC Name2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCC(C)(C#N)C(Oc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1Cl)c1cccnc1
InChIInChI=1S/C24H20ClN5O3S/c1-24(2,15-26)21(16-8-7-13-27-14-16)33-23-22(28-18-10-4-5-11-19(18)29-23)30-34(31,32)20-12-6-3-9-17(20)25/h3-14,21H,1-2H3,(H,28,30)
InChIKeyVJXMNOZLMQGSIE-UHFFFAOYSA-N
XLogP5.15
TPSA117.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.98
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide with MolForge

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Related Compounds

2-chloro-N-[3-[1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 87386004
2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 87386193
2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide
CID 67402273
N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]pyridine-3-sulfonamide
CID 67402942
1-(2-chlorophenyl)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]methanesulfonamide
CID 67402734
N-[3-[1,3-bis(dimethylamino)propan-2-yloxy]quinoxalin-2-yl]-2-chlorobenzenesulfonamide
CID 67402134
2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide
CID 67403098
N-[7-cyano-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide
CID 54596679
2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 67404066
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
CID 23122881
2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide
CID 86657925
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide (CID 67403076) is 2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide is CC(C)(C#N)C(Oc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1Cl)c1cccnc1.
What is the InChIKey of 2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is VJXMNOZLMQGSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3S/c1-24(2,15-26)21(16-8-7-13-27-14-16)33-23-22(28-18-10-4-5-11-19(18)29-23)30-34(31,32)20-12-6-3-9-17(20)25/h3-14,21H,1-2H3,(H,28,30).
What are the key properties of 2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide?
2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 493.98 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-cyano-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 67403076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).