[(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol

C17H19ClN2O3S — CID 57023316

IUPAC[(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(Cl)cnc2N2CCC[C@H]2CO)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-24(22,23)15-6-4-12(5-7-15)16-9-13(18)10-19-17(16)20-8-2-3-14(20)11-21/h4-7,9-10,14,21H,2-3,8,11H2,1H3/t14-/m0/s1
InChIKeyQPFGAEDOZBSYGF-AWEZNQCLSA-N
MW366.87 g/mol
LogP2.77
Rot. Bonds4

About [(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol

[(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol (PubChem CID 57023316) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is [(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
PubChem CID57023316
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name[(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(Cl)cnc2N2CCC[C@H]2CO)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-24(22,23)15-6-4-12(5-7-15)16-9-13(18)10-19-17(16)20-8-2-3-14(20)11-21/h4-7,9-10,14,21H,2-3,8,11H2,1H3/t14-/m0/s1
InChIKeyQPFGAEDOZBSYGF-AWEZNQCLSA-N
XLogP2.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol (CID 57023316) is [(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol is CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2N2CCC[C@H]2CO)cc1.
What is the InChIKey of [(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
The InChIKey is QPFGAEDOZBSYGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-24(22,23)15-6-4-12(5-7-15)16-9-13(18)10-19-17(16)20-8-2-3-14(20)11-21/h4-7,9-10,14,21H,2-3,8,11H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol has a molecular weight of 366.87 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 57023316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).