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

C18H23NO2S — CID 4918903

IUPAC1-(1-adamantylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(N1CCc2ccccc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO2S/c20-22(21,19-6-5-16-3-1-2-4-17(16)19)18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15H,5-12H2
InChIKeyVTDQNWJYWHKECO-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.35
Rot. Bonds2

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

1-(1-adamantylsulfonyl)-2,3-dihydroindole (PubChem CID 4918903) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 1-(1-adamantylsulfonyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-adamantylsulfonyl)-2,3-dihydroindole
PubChem CID4918903
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name1-(1-adamantylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(N1CCc2ccccc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO2S/c20-22(21,19-6-5-16-3-1-2-4-17(16)19)18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15H,5-12H2
InChIKeyVTDQNWJYWHKECO-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole
CID 110705798
2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane
CID 20650007
N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]adamantane-1-carboxamide
CID 54787520
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
N-[1-(1-adamantyl)ethyl]-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4287223
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole
CID 115049579
1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
CID 58724133
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(4-chlorobutylsulfonyl)-2,3-dihydroindole
CID 28704649
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylsulfonyl)-2,3-dihydroindole?
The IUPAC name of 1-(1-adamantylsulfonyl)-2,3-dihydroindole (CID 4918903) is 1-(1-adamantylsulfonyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(1-adamantylsulfonyl)-2,3-dihydroindole?
The canonical SMILES for 1-(1-adamantylsulfonyl)-2,3-dihydroindole is O=S(=O)(N1CCc2ccccc21)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylsulfonyl)-2,3-dihydroindole?
The InChIKey is VTDQNWJYWHKECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c20-22(21,19-6-5-16-3-1-2-4-17(16)19)18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15H,5-12H2.
What are the key properties of 1-(1-adamantylsulfonyl)-2,3-dihydroindole?
1-(1-adamantylsulfonyl)-2,3-dihydroindole has a molecular weight of 317.45 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylsulfonyl)-2,3-dihydroindole is sourced from PubChem (CID 4918903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).