5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide

C23H25FN4O3S — CID 146421913

IUPAC5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)n2)ncc1OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN4O3S/c1-17-14-23(32(29,30)27-22-9-5-8-21(24)26-22)25-15-20(17)31-19-10-12-28(13-11-19)16-18-6-3-2-4-7-18/h2-9,14-15,19H,10-13,16H2,1H3,(H,26,27)
InChIKeyHVHOCAKRYXUBFR-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.77
Rot. Bonds7

About 5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide

5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide (PubChem CID 146421913) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is 5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide
PubChem CID146421913
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC Name5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)n2)ncc1OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN4O3S/c1-17-14-23(32(29,30)27-22-9-5-8-21(24)26-22)25-15-20(17)31-19-10-12-28(13-11-19)16-18-6-3-2-4-7-18/h2-9,14-15,19H,10-13,16H2,1H3,(H,26,27)
InChIKeyHVHOCAKRYXUBFR-UHFFFAOYSA-N
XLogP3.77
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide?
The IUPAC name of 5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide (CID 146421913) is 5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide.
What is the SMILES notation for 5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide?
The canonical SMILES for 5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(F)n2)ncc1OC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide?
The InChIKey is HVHOCAKRYXUBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-17-14-23(32(29,30)27-22-9-5-8-21(24)26-22)25-15-20(17)31-19-10-12-28(13-11-19)16-18-6-3-2-4-7-18/h2-9,14-15,19H,10-13,16H2,1H3,(H,26,27).
What are the key properties of 5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide?
5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide has a molecular weight of 456.54 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpiperidin-4-yl)oxy-N-(6-fluoro-2-pyridinyl)-4-methylpyridine-2-sulfonamide is sourced from PubChem (CID 146421913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).