1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine

C20H23NO3S — CID 134017312

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H23NO3S/c1-24-18-10-7-16(8-11-18)20-6-3-13-21(20)25(22,23)19-12-9-15-4-2-5-17(15)14-19/h7-12,14,20H,2-6,13H2,1H3
InChIKeyDKLLSXLUUJKGNU-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.71
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine (PubChem CID 134017312) has the molecular formula C20H23NO3S and a molecular weight of 357.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
PubChem CID134017312
Molecular FormulaC20H23NO3S
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H23NO3S/c1-24-18-10-7-16(8-11-18)20-6-3-13-21(20)25(22,23)19-12-9-15-4-2-5-17(15)14-19/h7-12,14,20H,2-6,13H2,1H3
InChIKeyDKLLSXLUUJKGNU-UHFFFAOYSA-N
XLogP3.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 51178722
7-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51114581
1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697
3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 30287737
(2S)-1-(4-fluoro-3-methylsulfonylphenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 51967628
2-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
CID 46799982
3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 17490293
(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 94080813
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90609012
(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51855630

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine (CID 134017312) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine is COc1ccc(C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine?
The InChIKey is DKLLSXLUUJKGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-24-18-10-7-16(8-11-18)20-6-3-13-21(20)25(22,23)19-12-9-15-4-2-5-17(15)14-19/h7-12,14,20H,2-6,13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine has a molecular weight of 357.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 134017312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).