1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine

C18H19F2NO3S — CID 133333515

IUPAC1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCCN2c2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C18H19F2NO3S/c1-24-15-5-2-4-13(12-15)17-6-3-11-21(17)14-7-9-16(10-8-14)25(22,23)18(19)20/h2,4-5,7-10,12,17-18H,3,6,11H2,1H3
InChIKeyLXJCMLOVFRJXOV-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.03
Rot. Bonds5

About 1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine

1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine (PubChem CID 133333515) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine
PubChem CID133333515
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Name1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCCN2c2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C18H19F2NO3S/c1-24-15-5-2-4-13(12-15)17-6-3-11-21(17)14-7-9-16(10-8-14)25(22,23)18(19)20/h2,4-5,7-10,12,17-18H,3,6,11H2,1H3
InChIKeyLXJCMLOVFRJXOV-UHFFFAOYSA-N
XLogP4.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethylsulfonyl)phenyl]-2-phenylpyrrolidine
CID 133333664
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 97064012
[5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 133333516
1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-2-(3-methylphenyl)pyrrolidine
CID 133298219
methyl 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 51320524
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]quinoline
CID 133331422
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 51531011
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 94579683

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine (CID 133333515) is 1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine is COc1cccc(C2CCCN2c2ccc(S(=O)(=O)C(F)F)cc2)c1.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine?
The InChIKey is LXJCMLOVFRJXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c1-24-15-5-2-4-13(12-15)17-6-3-11-21(17)14-7-9-16(10-8-14)25(22,23)18(19)20/h2,4-5,7-10,12,17-18H,3,6,11H2,1H3.
What are the key properties of 1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine?
1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine has a molecular weight of 367.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 133333515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).