(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine

C16H16FNO2S — CID 51856093

IUPAC(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@H]1c1ccccc1F
InChIInChI=1S/C16H16FNO2S/c17-15-10-5-4-9-14(15)16-11-6-12-18(16)21(19,20)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2/t16-/m1/s1
InChIKeyOPEDSUCAVKPAFY-MRXNPFEDSA-N
MW305.37 g/mol
LogP3.35
Rot. Bonds3

About (2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine

(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine (PubChem CID 51856093) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine
PubChem CID51856093
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@H]1c1ccccc1F
InChIInChI=1S/C16H16FNO2S/c17-15-10-5-4-9-14(15)16-11-6-12-18(16)21(19,20)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2/t16-/m1/s1
InChIKeyOPEDSUCAVKPAFY-MRXNPFEDSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine
CID 51856005
(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
CID 51694778
1-(benzenesulfonyl)-2-(2-chlorophenyl)azepane
CID 53096134
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine
CID 71978636
1-(difluoromethyl)-4-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole
CID 51855636
4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 166213017
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
1-(benzenesulfonyl)pyrrolidin-2-amine
CID 19623298

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine?
The IUPAC name of (2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine (CID 51856093) is (2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine is O=S(=O)(c1ccccc1)N1CCC[C@@H]1c1ccccc1F.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine?
The InChIKey is OPEDSUCAVKPAFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-15-10-5-4-9-14(15)16-11-6-12-18(16)21(19,20)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2/t16-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine?
(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine has a molecular weight of 305.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine is sourced from PubChem (CID 51856093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).