4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid

C15H21F3N2O4S — CID 86718050

IUPAC4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid
SMILESCCc1ccc(S(=O)(=O)NC2CCNCC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N2O2S.C2HF3O2/c1-2-11-3-5-13(6-4-11)18(16,17)15-12-7-9-14-10-8-12;3-2(4,5)1(6)7/h3-6,12,14-15H,2,7-10H2,1H3;(H,6,7)
InChIKeyZWGNYTCRWQWWNX-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.91
Rot. Bonds4

About 4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid

4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 86718050) has the molecular formula C15H21F3N2O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID86718050
Molecular FormulaC15H21F3N2O4S
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Name4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid
SMILESCCc1ccc(S(=O)(=O)NC2CCNCC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N2O2S.C2HF3O2/c1-2-11-3-5-13(6-4-11)18(16,17)15-12-7-9-14-10-8-12;3-2(4,5)1(6)7/h3-6,12,14-15H,2,7-10H2,1H3;(H,6,7)
InChIKeyZWGNYTCRWQWWNX-UHFFFAOYSA-N
XLogP1.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid (CID 86718050) is 4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid is CCc1ccc(S(=O)(=O)NC2CCNCC2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZWGNYTCRWQWWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.C2HF3O2/c1-2-11-3-5-13(6-4-11)18(16,17)15-12-7-9-14-10-8-12;3-2(4,5)1(6)7/h3-6,12,14-15H,2,7-10H2,1H3;(H,6,7).
What are the key properties of 4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid?
4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 382.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-piperidin-4-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86718050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).