N-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide

C18H19N3O4S — CID 47952099

IUPACN-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCC(C)c1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C18H19N3O4S/c1-11(2)12-5-4-6-13(9-12)21(3)26(24,25)14-7-8-15-16(10-14)20-18(23)17(22)19-15/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyJYRDPIXCPAPCIG-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.16
Rot. Bonds4

About N-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide

N-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 47952099) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID47952099
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCC(C)c1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C18H19N3O4S/c1-11(2)12-5-4-6-13(9-12)21(3)26(24,25)14-7-8-15-16(10-14)20-18(23)17(22)19-15/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyJYRDPIXCPAPCIG-UHFFFAOYSA-N
XLogP2.16
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide (CID 47952099) is N-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide is CC(C)c1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1.
What is the InChIKey of N-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is JYRDPIXCPAPCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11(2)12-5-4-6-13(9-12)21(3)26(24,25)14-7-8-15-16(10-14)20-18(23)17(22)19-15/h4-11H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide?
N-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 373.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3-dioxo-N-(3-propan-2-ylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 47952099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).