N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C17H17N3O4S — CID 3245226

IUPACN-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C17H17N3O4S/c1-3-20(12-6-4-5-11(2)9-12)25(23,24)13-7-8-14-15(10-13)19-17(22)16(21)18-14/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyVKLAQNKOJHBKAU-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.74
Rot. Bonds4

About N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 3245226) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID3245226
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C17H17N3O4S/c1-3-20(12-6-4-5-11(2)9-12)25(23,24)13-7-8-14-15(10-13)19-17(22)16(21)18-14/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyVKLAQNKOJHBKAU-UHFFFAOYSA-N
XLogP1.74
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-oxo-1-(toluene-4-sulfonyl)-1,2,3,4-4H-quinoxalin-2-yl)-N-phenyl-acetamide
CID 653087
N-methyl-N-(2-naphthyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 38890218
4-(Benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
CID 1093237
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180
N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-methylpropanamide
CID 5309738
6-[4-(2,6-Difluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 31760204
4-(4-Tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 991971
N-{4-[(6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl)sulfonyl]phenyl}acetamide
CID 2931012
N-(3-chloro-4-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 5115327
N-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
CID 16195467

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 3245226) is N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is VKLAQNKOJHBKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-3-20(12-6-4-5-11(2)9-12)25(23,24)13-7-8-14-15(10-13)19-17(22)16(21)18-14/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 3245226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).