6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide

C10H11BrN2O4S — CID 83225473

IUPAC6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCCONS(=O)(=O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C10H11BrN2O4S/c1-2-17-13-18(15,16)9-3-6-4-10(14)12-8(6)5-7(9)11/h3,5,13H,2,4H2,1H3,(H,12,14)
InChIKeyWKCUYVKPXAIGJK-UHFFFAOYSA-N
MW335.18 g/mol
LogP1.17
Rot. Bonds4

About 6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide

6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 83225473) has the molecular formula C10H11BrN2O4S and a molecular weight of 335.18 g/mol. Its IUPAC name is 6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID83225473
Molecular FormulaC10H11BrN2O4S
Molecular Weight335.18 g/mol
Exact Mass333.96
IUPAC Name6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCCONS(=O)(=O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C10H11BrN2O4S/c1-2-17-13-18(15,16)9-3-6-4-10(14)12-8(6)5-7(9)11/h3,5,13H,2,4H2,1H3,(H,12,14)
InChIKeyWKCUYVKPXAIGJK-UHFFFAOYSA-N
XLogP1.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 83225473) is 6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide is CCONS(=O)(=O)c1cc2c(cc1Br)NC(=O)C2.
What is the InChIKey of 6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is WKCUYVKPXAIGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4S/c1-2-17-13-18(15,16)9-3-6-4-10(14)12-8(6)5-7(9)11/h3,5,13H,2,4H2,1H3,(H,12,14).
What are the key properties of 6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide?
6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 335.18 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 83225473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).