1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole

C15H15NO2S — CID 110713907

IUPAC1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
SMILESCc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO2S/c1-12-7-8-15-13(11-12)9-10-16(15)19(17,18)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyRVWMJXSTNXFLDG-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.75
Rot. Bonds2

About 1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole

1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole (PubChem CID 110713907) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
PubChem CID110713907
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
SMILESCc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO2S/c1-12-7-8-15-13(11-12)9-10-16(15)19(17,18)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyRVWMJXSTNXFLDG-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-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]propanal
CID 174519680
1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carbonitrile
CID 71134780
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
CID 137422519
2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine
CID 14916960
6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one
CID 4050913
1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine
CID 175252645
1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
CID 86768717
1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole
CID 155566888

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole (CID 110713907) is 1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole is Cc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole?
The InChIKey is RVWMJXSTNXFLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-12-7-8-15-13(11-12)9-10-16(15)19(17,18)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole?
1-(benzenesulfonyl)-5-methyl-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-(benzenesulfonyl)-5-methyl-2,3-dihydroindole is sourced from PubChem (CID 110713907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).