4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine

C16H21F3N2O2S — CID 91910156

IUPAC4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C16H21F3N2O2S/c17-16(18,19)14-1-3-15(4-2-14)24(22,23)21-9-6-12(7-10-21)13-5-8-20-11-13/h1-4,12-13,20H,5-11H2
InChIKeyNULJFVZSWJZLKZ-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.72
Rot. Bonds3

About 4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine

4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 91910156) has the molecular formula C16H21F3N2O2S and a molecular weight of 362.42 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID91910156
Molecular FormulaC16H21F3N2O2S
Molecular Weight362.42 g/mol
Exact Mass362.13
IUPAC Name4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C16H21F3N2O2S/c17-16(18,19)14-1-3-15(4-2-14)24(22,23)21-9-6-12(7-10-21)13-5-8-20-11-13/h1-4,12-13,20H,5-11H2
InChIKeyNULJFVZSWJZLKZ-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 91910156) is 4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(C2CCNC2)CC1.
What is the InChIKey of 4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is NULJFVZSWJZLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2S/c17-16(18,19)14-1-3-15(4-2-14)24(22,23)21-9-6-12(7-10-21)13-5-8-20-11-13/h1-4,12-13,20H,5-11H2.
What are the key properties of 4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 362.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 91910156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).