1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one

C15H20FNO3S — CID 59035431

IUPAC1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3S/c1-15(2,3)14(18)13-5-4-10-17(13)21(19,20)12-8-6-11(16)7-9-12/h6-9,13H,4-5,10H2,1-3H3
InChIKeyRDOKERMGPZTVAC-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.59
Rot. Bonds3

About 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one

1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 59035431) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID59035431
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3S/c1-15(2,3)14(18)13-5-4-10-17(13)21(19,20)12-8-6-11(16)7-9-12/h6-9,13H,4-5,10H2,1-3H3
InChIKeyRDOKERMGPZTVAC-UHFFFAOYSA-N
XLogP2.59
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one (CID 59035431) is 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is RDOKERMGPZTVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-15(2,3)14(18)13-5-4-10-17(13)21(19,20)12-8-6-11(16)7-9-12/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 313.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59035431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).