6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C13H18BrN3O3S — CID 83231451

IUPAC6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCNCCCN(C)S(=O)(=O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C13H18BrN3O3S/c1-15-4-3-5-17(2)21(19,20)12-6-9-7-13(18)16-11(9)8-10(12)14/h6,8,15H,3-5,7H2,1-2H3,(H,16,18)
InChIKeyQPPBWPSUICHKLH-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.17
Rot. Bonds6

About 6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 83231451) has the molecular formula C13H18BrN3O3S and a molecular weight of 376.28 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID83231451
Molecular FormulaC13H18BrN3O3S
Molecular Weight376.28 g/mol
Exact Mass375.03
IUPAC Name6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCNCCCN(C)S(=O)(=O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C13H18BrN3O3S/c1-15-4-3-5-17(2)21(19,20)12-6-9-7-13(18)16-11(9)8-10(12)14/h6,8,15H,3-5,7H2,1-2H3,(H,16,18)
InChIKeyQPPBWPSUICHKLH-UHFFFAOYSA-N
XLogP1.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 83231451) is 6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is CNCCCN(C)S(=O)(=O)c1cc2c(cc1Br)NC(=O)C2.
What is the InChIKey of 6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is QPPBWPSUICHKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3S/c1-15-4-3-5-17(2)21(19,20)12-6-9-7-13(18)16-11(9)8-10(12)14/h6,8,15H,3-5,7H2,1-2H3,(H,16,18).
What are the key properties of 6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 376.28 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 83231451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).