(2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine

C18H20FNO3S — CID 32676827

IUPAC(2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc([C@H]2CCCN2S(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO3S/c1-23-17-10-6-15(7-11-17)18-3-2-12-20(18)24(21,22)13-14-4-8-16(19)9-5-14/h4-11,18H,2-3,12-13H2,1H3/t18-/m1/s1
InChIKeyRULUHTUXCRBIKO-GOSISDBHSA-N
MW349.43 g/mol
LogP3.50
Rot. Bonds5

About (2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine

(2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine (PubChem CID 32676827) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine
PubChem CID32676827
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name(2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc([C@H]2CCCN2S(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO3S/c1-23-17-10-6-15(7-11-17)18-3-2-12-20(18)24(21,22)13-14-4-8-16(19)9-5-14/h4-11,18H,2-3,12-13H2,1H3/t18-/m1/s1
InChIKeyRULUHTUXCRBIKO-GOSISDBHSA-N
XLogP3.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[(4-nitrophenyl)methylsulfonyl]pyrrolidine
CID 55599013
1-(4-chlorobutylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 116815217
2-(4-ethoxyphenyl)-1-[(4-nitrophenyl)methylsulfonyl]pyrrolidine
CID 55544400
2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine
CID 110871726
(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 94080813
(2R)-1-benzylsulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 40820260
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 17402111
(2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine
CID 95724978
1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697
(2R,3R)-1-[(4-fluorophenyl)methylsulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105377
(2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
CID 97260415
2-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
CID 46799982

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine?
The IUPAC name of (2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine (CID 32676827) is (2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine?
The canonical SMILES for (2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine is COc1ccc([C@H]2CCCN2S(=O)(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine?
The InChIKey is RULUHTUXCRBIKO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-23-17-10-6-15(7-11-17)18-3-2-12-20(18)24(21,22)13-14-4-8-16(19)9-5-14/h4-11,18H,2-3,12-13H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine?
(2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine has a molecular weight of 349.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 32676827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).