5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one

C16H15NO3S — CID 18179950

IUPAC5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one
SMILESCC(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H15NO3S/c1-11(12-5-3-2-4-6-12)21(19,20)14-7-8-15-13(9-14)10-16(18)17-15/h2-9,11H,10H2,1H3,(H,17,18)
InChIKeyMZLNZULPMMBHTN-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.72
Rot. Bonds3

About 5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one

5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one (PubChem CID 18179950) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one
PubChem CID18179950
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one
SMILESCC(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H15NO3S/c1-11(12-5-3-2-4-6-12)21(19,20)14-7-8-15-13(9-14)10-16(18)17-15/h2-9,11H,10H2,1H3,(H,17,18)
InChIKeyMZLNZULPMMBHTN-UHFFFAOYSA-N
XLogP2.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506
2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625
N-cyclopropyl-2-oxo-N-propan-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110872901
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
N-methoxy-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 60664960
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 39419252
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8845219
2-(2-oxo-1,3-dihydroindol-5-yl)-N-(1-phenylethyl)acetamide
CID 110768091
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 112990517
5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
CID 61088892

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one (CID 18179950) is 5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one is CC(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one?
The InChIKey is MZLNZULPMMBHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-11(12-5-3-2-4-6-12)21(19,20)14-7-8-15-13(9-14)10-16(18)17-15/h2-9,11H,10H2,1H3,(H,17,18).
What are the key properties of 5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one?
5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one has a molecular weight of 301.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 18179950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).