(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine

C17H17F2NO2S — CID 51855969

IUPAC(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C17H17F2NO2S/c1-12-5-2-3-6-14(12)16-7-4-10-20(16)23(21,22)17-11-13(18)8-9-15(17)19/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3/t16-/m1/s1
InChIKeyDAGFBVJZCQSUJG-MRXNPFEDSA-N
MW337.39 g/mol
LogP3.80
Rot. Bonds3

About (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine

(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine (PubChem CID 51855969) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
PubChem CID51855969
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC Name(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C17H17F2NO2S/c1-12-5-2-3-6-14(12)16-7-4-10-20(16)23(21,22)17-11-13(18)8-9-15(17)19/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3/t16-/m1/s1
InChIKeyDAGFBVJZCQSUJG-MRXNPFEDSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine?
The IUPAC name of (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine (CID 51855969) is (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine?
The canonical SMILES for (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine is Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine?
The InChIKey is DAGFBVJZCQSUJG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c1-12-5-2-3-6-14(12)16-7-4-10-20(16)23(21,22)17-11-13(18)8-9-15(17)19/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine?
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine has a molecular weight of 337.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine is sourced from PubChem (CID 51855969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).