6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide

C12H15BrN2O4S — CID 83225601

IUPAC6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)CONS(=O)(=O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C12H15BrN2O4S/c1-7(2)6-19-15-20(17,18)11-3-8-4-12(16)14-10(8)5-9(11)13/h3,5,7,15H,4,6H2,1-2H3,(H,14,16)
InChIKeyUINFCYUMNXVMJV-UHFFFAOYSA-N
MW363.23 g/mol
LogP1.81
Rot. Bonds5

About 6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide

6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 83225601) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is 6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID83225601
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC Name6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)CONS(=O)(=O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C12H15BrN2O4S/c1-7(2)6-19-15-20(17,18)11-3-8-4-12(16)14-10(8)5-9(11)13/h3,5,7,15H,4,6H2,1-2H3,(H,14,16)
InChIKeyUINFCYUMNXVMJV-UHFFFAOYSA-N
XLogP1.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 51.81
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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Related Compounds

6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83225473
6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83228406
2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714913
2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide
CID 82715356
N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 103352902
6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83229209
2-[(6-bromo-2-oxo-1,3-dihydroindol-5-yl)sulfonyl-methylamino]propanoic acid
CID 83226385
6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83231282
6-bromo-2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 83231292
6-bromo-5-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 83231272
6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 104645670
6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83231451

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 83225601) is 6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide is CC(C)CONS(=O)(=O)c1cc2c(cc1Br)NC(=O)C2.
What is the InChIKey of 6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is UINFCYUMNXVMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c1-7(2)6-19-15-20(17,18)11-3-8-4-12(16)14-10(8)5-9(11)13/h3,5,7,15H,4,6H2,1-2H3,(H,14,16).
What are the key properties of 6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide?
6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 363.23 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 83225601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).