2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide

C19H19Cl2N3O4S — CID 69037010

IUPAC2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C19H19Cl2N3O4S/c1-11(2)22-17(25)10-15-19(26)23-13-7-3-4-8-14(13)24(15)29(27,28)16-9-5-6-12(20)18(16)21/h3-9,11,15H,10H2,1-2H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeyZPNDBDXYLNBQAT-OAHLLOKOSA-N
MW456.35 g/mol
LogP3.42
Rot. Bonds5

About 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide

2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide (PubChem CID 69037010) has the molecular formula C19H19Cl2N3O4S and a molecular weight of 456.35 g/mol. Its IUPAC name is 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide
PubChem CID69037010
Molecular FormulaC19H19Cl2N3O4S
Molecular Weight456.35 g/mol
Exact Mass455.05
IUPAC Name2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C19H19Cl2N3O4S/c1-11(2)22-17(25)10-15-19(26)23-13-7-3-4-8-14(13)24(15)29(27,28)16-9-5-6-12(20)18(16)21/h3-9,11,15H,10H2,1-2H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeyZPNDBDXYLNBQAT-OAHLLOKOSA-N
XLogP3.42
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide (CID 69037010) is 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is ZPNDBDXYLNBQAT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19Cl2N3O4S/c1-11(2)22-17(25)10-15-19(26)23-13-7-3-4-8-14(13)24(15)29(27,28)16-9-5-6-12(20)18(16)21/h3-9,11,15H,10H2,1-2H3,(H,22,25)(H,23,26)/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide?
2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 456.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 69037010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).