[(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone

C12H14FNO3S — CID 142545057

IUPAC[(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](F)C2)c1
InChIInChI=1S/C12H14FNO3S/c1-18(16,17)11-4-2-3-9(7-11)12(15)14-6-5-10(13)8-14/h2-4,7,10H,5-6,8H2,1H3/t10-/m0/s1
InChIKeyWYLPZOPXWPNEHU-JTQLQIEISA-N
MW271.31 g/mol
LogP1.27
Rot. Bonds2

About [(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone

[(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 142545057) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is [(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID142545057
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name[(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](F)C2)c1
InChIInChI=1S/C12H14FNO3S/c1-18(16,17)11-4-2-3-9(7-11)12(15)14-6-5-10(13)8-14/h2-4,7,10H,5-6,8H2,1H3/t10-/m0/s1
InChIKeyWYLPZOPXWPNEHU-JTQLQIEISA-N
XLogP1.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone (CID 142545057) is [(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone is CS(=O)(=O)c1cccc(C(=O)N2CC[C@H](F)C2)c1.
What is the InChIKey of [(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is WYLPZOPXWPNEHU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14FNO3S/c1-18(16,17)11-4-2-3-9(7-11)12(15)14-6-5-10(13)8-14/h2-4,7,10H,5-6,8H2,1H3/t10-/m0/s1.
What are the key properties of [(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone?
[(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 271.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoropyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 142545057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).