[5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C19H21FN2O3S — CID 58211605

IUPAC[5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cncc(CS(=O)(=O)c3ccccc3F)c2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-6-8-22(9-7-14)19(23)16-10-15(11-21-12-16)13-26(24,25)18-5-3-2-4-17(18)20/h2-5,10-12,14H,6-9,13H2,1H3
InChIKeyVHMDTEWFGAEUGF-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.07
Rot. Bonds4

About [5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 58211605) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is [5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID58211605
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name[5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cncc(CS(=O)(=O)c3ccccc3F)c2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-6-8-22(9-7-14)19(23)16-10-15(11-21-12-16)13-26(24,25)18-5-3-2-4-17(18)20/h2-5,10-12,14H,6-9,13H2,1H3
InChIKeyVHMDTEWFGAEUGF-UHFFFAOYSA-N
XLogP3.07
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 58211605) is [5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cncc(CS(=O)(=O)c3ccccc3F)c2)CC1.
What is the InChIKey of [5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VHMDTEWFGAEUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-6-8-22(9-7-14)19(23)16-10-15(11-21-12-16)13-26(24,25)18-5-3-2-4-17(18)20/h2-5,10-12,14H,6-9,13H2,1H3.
What are the key properties of [5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 376.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 58211605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).