5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine

C18H20FNO3S — CID 58120117

IUPAC5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine
SMILESCC(C)S(=O)(=O)C[C@H]1Cc2ccc(Oc3ccc(F)cn3)cc2C1
InChIInChI=1S/C18H20FNO3S/c1-12(2)24(21,22)11-13-7-14-3-5-17(9-15(14)8-13)23-18-6-4-16(19)10-20-18/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m0/s1
InChIKeyZSBGUMOMHXQBTF-ZDUSSCGKSA-N
MW349.43 g/mol
LogP3.55
Rot. Bonds5

About 5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine

5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine (PubChem CID 58120117) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine
PubChem CID58120117
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine
SMILESCC(C)S(=O)(=O)C[C@H]1Cc2ccc(Oc3ccc(F)cn3)cc2C1
InChIInChI=1S/C18H20FNO3S/c1-12(2)24(21,22)11-13-7-14-3-5-17(9-15(14)8-13)23-18-6-4-16(19)10-20-18/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m0/s1
InChIKeyZSBGUMOMHXQBTF-ZDUSSCGKSA-N
XLogP3.55
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine?
The IUPAC name of 5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine (CID 58120117) is 5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine.
What is the SMILES notation for 5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine?
The canonical SMILES for 5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine is CC(C)S(=O)(=O)C[C@H]1Cc2ccc(Oc3ccc(F)cn3)cc2C1.
What is the InChIKey of 5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine?
The InChIKey is ZSBGUMOMHXQBTF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-12(2)24(21,22)11-13-7-14-3-5-17(9-15(14)8-13)23-18-6-4-16(19)10-20-18/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine?
5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine has a molecular weight of 349.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine is sourced from PubChem (CID 58120117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).