1-(3-methylphenyl)sulfonyl-2,3-dihydroindole

C15H15NO2S — CID 5010201

IUPAC1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C15H15NO2S/c1-12-5-4-7-14(11-12)19(17,18)16-10-9-13-6-2-3-8-15(13)16/h2-8,11H,9-10H2,1H3
InChIKeyHFNHZHMBKARUPL-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.75
Rot. Bonds2

About 1-(3-methylphenyl)sulfonyl-2,3-dihydroindole

1-(3-methylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 5010201) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID5010201
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C15H15NO2S/c1-12-5-4-7-14(11-12)19(17,18)16-10-9-13-6-2-3-8-15(13)16/h2-8,11H,9-10H2,1H3
InChIKeyHFNHZHMBKARUPL-UHFFFAOYSA-N
XLogP2.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 43811959
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
CID 2952438
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide
CID 2174045
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 28796047
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(3-methylphenyl)sulfonyl-2,3-dihydroindole (CID 5010201) is 1-(3-methylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(3-methylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(3-methylphenyl)sulfonyl-2,3-dihydroindole is Cc1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is HFNHZHMBKARUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-12-5-4-7-14(11-12)19(17,18)16-10-9-13-6-2-3-8-15(13)16/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(3-methylphenyl)sulfonyl-2,3-dihydroindole?
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 273.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 5010201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).