1-(benzenesulfonyl)-2,3-dihydroindole

C14H13NO2S — CID 668757

IUPAC1-(benzenesulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C14H13NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-9H,10-11H2
InChIKeyAVIIJCYFOVAPRK-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.44
Rot. Bonds2

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

1-(benzenesulfonyl)-2,3-dihydroindole (PubChem CID 668757) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2,3-dihydroindole
PubChem CID668757
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name1-(benzenesulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C14H13NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-9H,10-11H2
InChIKeyAVIIJCYFOVAPRK-UHFFFAOYSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
N,4-Dimethyl-N-phenylbenzenesulfonamide
CID 220023
2,3-dihydro-1H-indole-5-sulfonamide
CID 8027252
1-(4-Chlorophenyl)sulfonyl-2,3-dihydroindole
CID 710426
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
5-(Pyrrolidin-1-ylsulfonyl)indoline
CID 7064088
4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
1-(4-Fluorophenyl)sulfonyl-2,3-dihydroindole
CID 768000
N-Ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 74568
N-ethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 7312501
N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 122179036
Indoline, 1-methylsulfonyl-5-(1-piperidylsulfonyl)-
CID 608636

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-2,3-dihydroindole (CID 668757) is 1-(benzenesulfonyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-2,3-dihydroindole is O=S(=O)(c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-(benzenesulfonyl)-2,3-dihydroindole?
The InChIKey is AVIIJCYFOVAPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-9H,10-11H2.
What are the key properties of 1-(benzenesulfonyl)-2,3-dihydroindole?
1-(benzenesulfonyl)-2,3-dihydroindole has a molecular weight of 259.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2,3-dihydroindole is sourced from PubChem (CID 668757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).