2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine

C16H17FN2O2S — CID 110871726

IUPAC2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCCC1c1ccccn1
InChIInChI=1S/C16H17FN2O2S/c17-14-8-6-13(7-9-14)12-22(20,21)19-11-3-5-16(19)15-4-1-2-10-18-15/h1-2,4,6-10,16H,3,5,11-12H2
InChIKeyWPYHKGKYZSVCRM-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.89
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine

2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine (PubChem CID 110871726) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine
PubChem CID110871726
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCCC1c1ccccn1
InChIInChI=1S/C16H17FN2O2S/c17-14-8-6-13(7-9-14)12-22(20,21)19-11-3-5-16(19)15-4-1-2-10-18-15/h1-2,4,6-10,16H,3,5,11-12H2
InChIKeyWPYHKGKYZSVCRM-UHFFFAOYSA-N
XLogP2.89
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
CID 110096230
3-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 47019510
(2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine
CID 32676827
[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]-phenylmethanone
CID 110357734
2-(4-fluorophenyl)-1-[(4-nitrophenyl)methylsulfonyl]pyrrolidine
CID 55599013
4-(1-benzylsulfonylpyrrolidin-2-yl)-5-(4-fluorophenyl)pyrimidin-2-amine
CID 110253120
3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078
2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110254506
(3R,4R)-3-methoxy-4-[3-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]sulfonylmethyl]phenoxy]pyrrolidine-1-carbaldehyde
CID 153321445
5-(1-benzylsulfonylpyrrolidin-2-yl)-1H-imidazole-4-carboxylic acid
CID 20718937
3-(1-benzylsulfonylpyrrolidin-2-yl)-5-ethyl-1H-1,2,4-triazole
CID 87052072
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95817970

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine (CID 110871726) is 2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine is O=S(=O)(Cc1ccc(F)cc1)N1CCCC1c1ccccn1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine?
The InChIKey is WPYHKGKYZSVCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-14-8-6-13(7-9-14)12-22(20,21)19-11-3-5-16(19)15-4-1-2-10-18-15/h1-2,4,6-10,16H,3,5,11-12H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine?
2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine has a molecular weight of 320.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 110871726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).