(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine

C20H22FNO2S — CID 51855630

IUPAC(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C20H22FNO2S/c21-18-8-3-7-17(13-18)20-9-4-12-22(20)25(23,24)19-11-10-15-5-1-2-6-16(15)14-19/h3,7-8,10-11,13-14,20H,1-2,4-6,9,12H2/t20-/m1/s1
InChIKeyAGLSBXJEPNVLRD-HXUWFJFHSA-N
MW359.47 g/mol
LogP4.23
Rot. Bonds3

About (2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine

(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine (PubChem CID 51855630) has the molecular formula C20H22FNO2S and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
PubChem CID51855630
Molecular FormulaC20H22FNO2S
Molecular Weight359.47 g/mol
Exact Mass359.14
IUPAC Name(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C20H22FNO2S/c21-18-8-3-7-17(13-18)20-9-4-12-22(20)25(23,24)19-11-10-15-5-1-2-6-16(15)14-19/h3,7-8,10-11,13-14,20H,1-2,4-6,9,12H2/t20-/m1/s1
InChIKeyAGLSBXJEPNVLRD-HXUWFJFHSA-N
XLogP4.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepane
CID 53096212
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51856127
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51856369
2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 53096130
(2S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 95078943
(2S)-2-(3-fluorophenyl)-1-(4-nitrophenyl)sulfonylazepane
CID 95078984
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 134017312
2-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 126778989
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51855580
1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 18170893
4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
CID 126795936

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine?
The IUPAC name of (2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine (CID 51855630) is (2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine?
The InChIKey is AGLSBXJEPNVLRD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22FNO2S/c21-18-8-3-7-17(13-18)20-9-4-12-22(20)25(23,24)19-11-10-15-5-1-2-6-16(15)14-19/h3,7-8,10-11,13-14,20H,1-2,4-6,9,12H2/t20-/m1/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine?
(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine has a molecular weight of 359.47 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine is sourced from PubChem (CID 51855630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).