3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one

C17H17NO3S — CID 71814815

IUPAC3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(CS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H17NO3S/c1-17(12-22(20,21)13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(2)16(17)19/h3-11H,12H2,1-2H3
InChIKeyLSMNPXJXLFNILX-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.39
Rot. Bonds3

About 3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one

3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one (PubChem CID 71814815) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one
PubChem CID71814815
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(CS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H17NO3S/c1-17(12-22(20,21)13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(2)16(17)19/h3-11H,12H2,1-2H3
InChIKeyLSMNPXJXLFNILX-UHFFFAOYSA-N
XLogP2.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one?
The IUPAC name of 3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one (CID 71814815) is 3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one?
The canonical SMILES for 3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one is CN1C(=O)C(C)(CS(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one?
The InChIKey is LSMNPXJXLFNILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-17(12-22(20,21)13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(2)16(17)19/h3-11H,12H2,1-2H3.
What are the key properties of 3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one?
3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one has a molecular weight of 315.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-1,3-dimethylindol-2-one is sourced from PubChem (CID 71814815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).