2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole

C16H17NO2S2 — CID 2944511

IUPAC2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole
SMILESCSc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C16H17NO2S2/c1-12-11-13-5-3-4-6-16(13)17(12)21(18,19)15-9-7-14(20-2)8-10-15/h3-10,12H,11H2,1-2H3
InChIKeyMJBQPDVFYSPJBT-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.55
Rot. Bonds3

About 2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole

2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 2944511) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID2944511
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC Name2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole
SMILESCSc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C16H17NO2S2/c1-12-11-13-5-3-4-6-16(13)17(12)21(18,19)15-9-7-14(20-2)8-10-15/h3-10,12H,11H2,1-2H3
InChIKeyMJBQPDVFYSPJBT-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole (CID 2944511) is 2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole is CSc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is MJBQPDVFYSPJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S2/c1-12-11-13-5-3-4-6-16(13)17(12)21(18,19)15-9-7-14(20-2)8-10-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole?
2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 319.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 2944511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).