(3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol

C15H14F2N2O3S — CID 100664418

IUPAC(3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccnc1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2O3S/c16-13-4-3-10(6-14(13)17)15-7-11(20)9-19(15)23(21,22)12-2-1-5-18-8-12/h1-6,8,11,15,20H,7,9H2/t11-,15-/m0/s1
InChIKeyLWHNUYDSXXAGGS-NHYWBVRUSA-N
MW340.35 g/mol
LogP1.86
Rot. Bonds3

About (3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol

(3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol (PubChem CID 100664418) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is (3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol
PubChem CID100664418
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC Name(3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccnc1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2O3S/c16-13-4-3-10(6-14(13)17)15-7-11(20)9-19(15)23(21,22)12-2-1-5-18-8-12/h1-6,8,11,15,20H,7,9H2/t11-,15-/m0/s1
InChIKeyLWHNUYDSXXAGGS-NHYWBVRUSA-N
XLogP1.86
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol (CID 100664418) is (3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol is O=S(=O)(c1cccnc1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol?
The InChIKey is LWHNUYDSXXAGGS-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c16-13-4-3-10(6-14(13)17)15-7-11(20)9-19(15)23(21,22)12-2-1-5-18-8-12/h1-6,8,11,15,20H,7,9H2/t11-,15-/m0/s1.
What are the key properties of (3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol?
(3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol has a molecular weight of 340.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 100664418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).