N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C23H25F3N2O3S — CID 4883298

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H25F3N2O3S/c24-23(25,26)18-7-4-8-19(15-18)32(30,31)28-13-11-17(12-14-28)22(29)27-21-10-3-6-16-5-1-2-9-20(16)21/h1-2,4-5,7-9,15,17,21H,3,6,10-14H2,(H,27,29)
InChIKeyXDLMJYQCXXTTDB-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.30
Rot. Bonds4

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 4883298) has the molecular formula C23H25F3N2O3S and a molecular weight of 466.53 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID4883298
Molecular FormulaC23H25F3N2O3S
Molecular Weight466.53 g/mol
Exact Mass466.15
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H25F3N2O3S/c24-23(25,26)18-7-4-8-19(15-18)32(30,31)28-13-11-17(12-14-28)22(29)27-21-10-3-6-16-5-1-2-9-20(16)21/h1-2,4-5,7-9,15,17,21H,3,6,10-14H2,(H,27,29)
InChIKeyXDLMJYQCXXTTDB-UHFFFAOYSA-N
XLogP4.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 4883298) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is XDLMJYQCXXTTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3S/c24-23(25,26)18-7-4-8-19(15-18)32(30,31)28-13-11-17(12-14-28)22(29)27-21-10-3-6-16-5-1-2-9-20(16)21/h1-2,4-5,7-9,15,17,21H,3,6,10-14H2,(H,27,29).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 466.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4883298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).