2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine

C17H17F3N2O2S — CID 139028889

IUPAC2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccccc1)C1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)15-7-4-8-16(21-15)22-11-9-14(10-12-22)25(23,24)13-5-2-1-3-6-13/h1-8,14H,9-12H2
InChIKeyMOKBRRGXBNXMIO-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.54
Rot. Bonds3

About 2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine

2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine (PubChem CID 139028889) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
PubChem CID139028889
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccccc1)C1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)15-7-4-8-16(21-15)22-11-9-14(10-12-22)25(23,24)13-5-2-1-3-6-13/h1-8,14H,9-12H2
InChIKeyMOKBRRGXBNXMIO-UHFFFAOYSA-N
XLogP3.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine (CID 139028889) is 2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine is O=S(=O)(c1ccccc1)C1CCN(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine?
The InChIKey is MOKBRRGXBNXMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c18-17(19,20)15-7-4-8-16(21-15)22-11-9-14(10-12-22)25(23,24)13-5-2-1-3-6-13/h1-8,14H,9-12H2.
What are the key properties of 2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine?
2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine has a molecular weight of 370.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 139028889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).