3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide

C16H14N2O2S — CID 2998751

IUPAC3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide
SMILESCC1Cc2ccccc2N1C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C16H14N2O2S/c1-11-10-12-6-2-4-8-14(12)18(11)16-13-7-3-5-9-15(13)21(19,20)17-16/h2-9,11H,10H2,1H3
InChIKeyVXLIHMLLSDRRLH-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.59
Rot. Bonds

About 3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide

3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide (PubChem CID 2998751) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide
PubChem CID2998751
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide
SMILESCC1Cc2ccccc2N1C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C16H14N2O2S/c1-11-10-12-6-2-4-8-14(12)18(11)16-13-7-3-5-9-15(13)21(19,20)17-16/h2-9,11H,10H2,1H3
InChIKeyVXLIHMLLSDRRLH-UHFFFAOYSA-N
XLogP2.59
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide (CID 2998751) is 3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide is CC1Cc2ccccc2N1C1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide?
The InChIKey is VXLIHMLLSDRRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-10-12-6-2-4-8-14(12)18(11)16-13-7-3-5-9-15(13)21(19,20)17-16/h2-9,11H,10H2,1H3.
What are the key properties of 3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide?
3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide has a molecular weight of 298.37 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 2998751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).