N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide

C19H21N3O4S — CID 20914041

IUPACN-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc2c(cc1C)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C19H21N3O4S/c1-5-22(14-9-7-6-8-10-14)27(25,26)17-12-16-15(11-13(17)2)20(3)18(23)19(24)21(16)4/h6-12H,5H2,1-4H3
InChIKeyGVOHBOHATYUAMZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.76
Rot. Bonds4

About N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide

N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide (PubChem CID 20914041) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide
PubChem CID20914041
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc2c(cc1C)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C19H21N3O4S/c1-5-22(14-9-7-6-8-10-14)27(25,26)17-12-16-15(11-13(17)2)20(3)18(23)19(24)21(16)4/h6-12H,5H2,1-4H3
InChIKeyGVOHBOHATYUAMZ-UHFFFAOYSA-N
XLogP1.76
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide?
The IUPAC name of N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide (CID 20914041) is N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide.
What is the SMILES notation for N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide?
The canonical SMILES for N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cc2c(cc1C)n(C)c(=O)c(=O)n2C.
What is the InChIKey of N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide?
The InChIKey is GVOHBOHATYUAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-5-22(14-9-7-6-8-10-14)27(25,26)17-12-16-15(11-13(17)2)20(3)18(23)19(24)21(16)4/h6-12H,5H2,1-4H3.
What are the key properties of N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide?
N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide has a molecular weight of 387.46 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide is sourced from PubChem (CID 20914041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).