(2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine

C16H14ClF2NO2S — CID 51855932

IUPAC(2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCC[C@H]1c1ccccc1Cl
InChIInChI=1S/C16H14ClF2NO2S/c17-13-5-2-1-4-12(13)15-6-3-9-20(15)23(21,22)16-10-11(18)7-8-14(16)19/h1-2,4-5,7-8,10,15H,3,6,9H2/t15-/m0/s1
InChIKeyHVBGPEDTWJOAQI-HNNXBMFYSA-N
MW357.81 g/mol
LogP4.14
Rot. Bonds3

About (2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine

(2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine (PubChem CID 51855932) has the molecular formula C16H14ClF2NO2S and a molecular weight of 357.81 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
PubChem CID51855932
Molecular FormulaC16H14ClF2NO2S
Molecular Weight357.81 g/mol
Exact Mass357.04
IUPAC Name(2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCC[C@H]1c1ccccc1Cl
InChIInChI=1S/C16H14ClF2NO2S/c17-13-5-2-1-4-12(13)15-6-3-9-20(15)23(21,22)16-10-11(18)7-8-14(16)19/h1-2,4-5,7-8,10,15H,3,6,9H2/t15-/m0/s1
InChIKeyHVBGPEDTWJOAQI-HNNXBMFYSA-N
XLogP4.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855969
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 51855807
2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine
CID 166330262
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 63397513
2-[(2S)-1-(2,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole
CID 40746757
1-(benzenesulfonyl)-2-(2-chlorophenyl)azepane
CID 53096134
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylazepane
CID 116639751
(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51856369
1-(2,5-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 78797686
1-(2,5-difluorophenyl)sulfonyl-2-(3-methylthiophen-2-yl)azepane
CID 22586834
[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone
CID 60575634

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine?
The IUPAC name of (2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine (CID 51855932) is (2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1cc(F)ccc1F)N1CCC[C@H]1c1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine?
The InChIKey is HVBGPEDTWJOAQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2S/c17-13-5-2-1-4-12(13)15-6-3-9-20(15)23(21,22)16-10-11(18)7-8-14(16)19/h1-2,4-5,7-8,10,15H,3,6,9H2/t15-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine?
(2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine has a molecular weight of 357.81 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 51855932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).