1-benzylsulfonyl-2,3-dihydroindole

C15H15NO2S — CID 870979

IUPAC1-benzylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(Cc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C15H15NO2S/c17-19(18,12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2
InChIKeyHEGWNXJQSXOTMK-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.58
Rot. Bonds3

About 1-benzylsulfonyl-2,3-dihydroindole

1-benzylsulfonyl-2,3-dihydroindole (PubChem CID 870979) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-benzylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-benzylsulfonyl-2,3-dihydroindole
PubChem CID870979
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-benzylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(Cc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C15H15NO2S/c17-19(18,12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2
InChIKeyHEGWNXJQSXOTMK-UHFFFAOYSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Chlorophenyl)sulfonyl-2,3-dihydroindole
CID 710426
4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
1-(Phenylsulfonyl)indoline
CID 668757
1-(4-Fluorophenyl)sulfonyl-2,3-dihydroindole
CID 768000
1-(Methylsulfonyl)indolin-5-amine
CID 735917
Indoline, 1-methylsulfonyl-5-(1-piperidylsulfonyl)-
CID 608636
N,N-dimethyl-1-indolinesulfonamide
CID 744039
N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-1-phenylmethanesulfonamide
CID 71583945
2,3-dihydro-1H-indole-1-sulfonamide
CID 22070623
1-(Methylsulfonyl)indoline
CID 639972
2,3-Dimethyl-1-(phenylsulfonyl)indoline
CID 252020
N-(2-fluorobenzyl)-N-(2-methylphenyl)methanesulfonamide
CID 838656

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-2,3-dihydroindole?
The IUPAC name of 1-benzylsulfonyl-2,3-dihydroindole (CID 870979) is 1-benzylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-benzylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-benzylsulfonyl-2,3-dihydroindole is O=S(=O)(Cc1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-benzylsulfonyl-2,3-dihydroindole?
The InChIKey is HEGWNXJQSXOTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-19(18,12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2.
What are the key properties of 1-benzylsulfonyl-2,3-dihydroindole?
1-benzylsulfonyl-2,3-dihydroindole has a molecular weight of 273.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 870979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).