N-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide

C12H14N2O5S — CID 10851609

IUPACN-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C12H14N2O5S/c1-14(5-6-19-2)20(17,18)8-3-4-10-9(7-8)11(15)12(16)13-10/h3-4,7H,5-6H2,1-2H3,(H,13,15,16)
InChIKeyFEPHVOCFAAXLPB-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.09
Rot. Bonds5

About N-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide

N-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide (PubChem CID 10851609) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide
PubChem CID10851609
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC NameN-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C12H14N2O5S/c1-14(5-6-19-2)20(17,18)8-3-4-10-9(7-8)11(15)12(16)13-10/h3-4,7H,5-6H2,1-2H3,(H,13,15,16)
InChIKeyFEPHVOCFAAXLPB-UHFFFAOYSA-N
XLogP0.09
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide (CID 10851609) is N-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide is COCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide?
The InChIKey is FEPHVOCFAAXLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-14(5-6-19-2)20(17,18)8-3-4-10-9(7-8)11(15)12(16)13-10/h3-4,7H,5-6H2,1-2H3,(H,13,15,16).
What are the key properties of N-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide?
N-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide has a molecular weight of 298.32 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-2,3-dioxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 10851609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).