1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine

C17H17F2NO2S — CID 133333664

IUPAC1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine
SMILESO=S(=O)(c1ccc(N2CCCC2c2ccccc2)cc1)C(F)F
InChIInChI=1S/C17H17F2NO2S/c18-17(19)23(21,22)15-10-8-14(9-11-15)20-12-4-7-16(20)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17H,4,7,12H2
InChIKeyYMTCYQOSOKNEAJ-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.02
Rot. Bonds4

About 1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine

1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine (PubChem CID 133333664) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine
PubChem CID133333664
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC Name1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine
SMILESO=S(=O)(c1ccc(N2CCCC2c2ccccc2)cc1)C(F)F
InChIInChI=1S/C17H17F2NO2S/c18-17(19)23(21,22)15-10-8-14(9-11-15)20-12-4-7-16(20)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17H,4,7,12H2
InChIKeyYMTCYQOSOKNEAJ-UHFFFAOYSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine
CID 133333515
1,2-diphenylpyrrolidine;hydrochloride
CID 23512926
2-(bromomethyl)-1-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine
CID 80667640
4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine
CID 133429168
2-(chloromethyl)-1-[4-(difluoromethylsulfonyl)phenyl]piperidine
CID 63392122
1,2-diphenylpyrrolidine;ethanol
CID 67627522
1-[3-(difluoromethoxy)-4-nitrophenyl]-2-phenylpyrrolidine
CID 133333712
2-[4-(difluoromethylsulfonyl)phenyl]-1-methyl-3,4-dihydro-1H-isoquinoline
CID 133428832
1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-2-(3-methylphenyl)pyrrolidine
CID 133298219
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine
CID 63852993
1-[4-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine
CID 62672666

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine (CID 133333664) is 1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine is O=S(=O)(c1ccc(N2CCCC2c2ccccc2)cc1)C(F)F.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine?
The InChIKey is YMTCYQOSOKNEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c18-17(19)23(21,22)15-10-8-14(9-11-15)20-12-4-7-16(20)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17H,4,7,12H2.
What are the key properties of 1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine?
1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine has a molecular weight of 337.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine is sourced from PubChem (CID 133333664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).