5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one

C11H13BrN2O3S — CID 114243982

IUPAC5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one
SMILESCS(=O)(=O)CC(N)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C11H13BrN2O3S/c1-18(16,17)5-9(13)7-2-6-3-11(15)14-10(6)4-8(7)12/h2,4,9H,3,5,13H2,1H3,(H,14,15)
InChIKeyLWTYWQTXXOZALS-UHFFFAOYSA-N
MW333.21 g/mol
LogP0.99
Rot. Bonds3

About 5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one

5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one (PubChem CID 114243982) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is 5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one
PubChem CID114243982
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one
SMILESCS(=O)(=O)CC(N)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C11H13BrN2O3S/c1-18(16,17)5-9(13)7-2-6-3-11(15)14-10(6)4-8(7)12/h2,4,9H,3,5,13H2,1H3,(H,14,15)
InChIKeyLWTYWQTXXOZALS-UHFFFAOYSA-N
XLogP0.99
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one
CID 114243983
5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid
CID 114243999
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83225601
6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83228406
6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83225473
6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83231282
2-[(6-bromo-2-oxo-1,3-dihydroindol-5-yl)sulfonyl-methylamino]propanoic acid
CID 83226385
5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457581
6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one
CID 104521145
5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one
CID 43451982
N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 103352902

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one (CID 114243982) is 5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one is CS(=O)(=O)CC(N)c1cc2c(cc1Br)NC(=O)C2.
What is the InChIKey of 5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one?
The InChIKey is LWTYWQTXXOZALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c1-18(16,17)5-9(13)7-2-6-3-11(15)14-10(6)4-8(7)12/h2,4,9H,3,5,13H2,1H3,(H,14,15).
What are the key properties of 5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one?
5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one has a molecular weight of 333.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one is sourced from PubChem (CID 114243982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).