1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine

C20H20FNO2S — CID 42938534

IUPAC1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine
SMILESO=S(=O)(C1=Cc2ccccc2CC1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C20H20FNO2S/c21-18-10-7-16(8-11-18)20-6-3-13-22(20)25(23,24)19-12-9-15-4-1-2-5-17(15)14-19/h1-2,4-5,7-8,10-11,14,20H,3,6,9,12-13H2
InChIKeyIQAOXWARCHSBGB-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.28
Rot. Bonds3

About 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine

1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine (PubChem CID 42938534) has the molecular formula C20H20FNO2S and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine
PubChem CID42938534
Molecular FormulaC20H20FNO2S
Molecular Weight357.45 g/mol
Exact Mass357.12
IUPAC Name1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine
SMILESO=S(=O)(C1=Cc2ccccc2CC1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C20H20FNO2S/c21-18-10-7-16(8-11-18)20-6-3-13-22(20)25(23,24)19-12-9-15-4-1-2-5-17(15)14-19/h1-2,4-5,7-8,10-11,14,20H,3,6,9,12-13H2
InChIKeyIQAOXWARCHSBGB-UHFFFAOYSA-N
XLogP4.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine?
The IUPAC name of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine (CID 42938534) is 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine.
What is the SMILES notation for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine?
The canonical SMILES for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine is O=S(=O)(C1=Cc2ccccc2CC1)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine?
The InChIKey is IQAOXWARCHSBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2S/c21-18-10-7-16(8-11-18)20-6-3-13-22(20)25(23,24)19-12-9-15-4-1-2-5-17(15)14-19/h1-2,4-5,7-8,10-11,14,20H,3,6,9,12-13H2.
What are the key properties of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine?
1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine has a molecular weight of 357.45 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-(4-fluorophenyl)pyrrolidine is sourced from PubChem (CID 42938534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).