1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole

C16H17NO3S — CID 56764845

IUPAC1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(CCOc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H17NO3S/c18-21(19,13-12-20-15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)17/h1-9H,10-13H2
InChIKeyLWPHSQWYLBFMJH-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.46
Rot. Bonds5

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

1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole (PubChem CID 56764845) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole
PubChem CID56764845
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(CCOc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H17NO3S/c18-21(19,13-12-20-15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)17/h1-9H,10-13H2
InChIKeyLWPHSQWYLBFMJH-UHFFFAOYSA-N
XLogP2.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-(2-phenoxyethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 51135938
1-(4-chlorobutylsulfonyl)-2,3-dihydroindole
CID 28704649
1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole
CID 115049579
1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
CID 56764843
1-[2-(4-fluorophenoxy)ethylsulfonyl]-6-nitro-2,3-dihydroindole
CID 110306404
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
CID 110343036
1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole
CID 22058070
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
CID 110343046
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110918358
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110343053
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole
CID 22058044

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole?
The IUPAC name of 1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole (CID 56764845) is 1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole?
The canonical SMILES for 1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole is O=S(=O)(CCOc1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole?
The InChIKey is LWPHSQWYLBFMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-21(19,13-12-20-15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)17/h1-9H,10-13H2.
What are the key properties of 1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole?
1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole has a molecular weight of 303.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole is sourced from PubChem (CID 56764845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).