2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide

C15H21F3N2O2S — CID 70916221

IUPAC2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide
SMILESCc1ccccc1C(NS(=O)(=O)CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C15H21F3N2O2S/c1-11-4-2-3-5-13(11)14(12-6-8-19-9-7-12)20-23(21,22)10-15(16,17)18/h2-5,12,14,19-20H,6-10H2,1H3
InChIKeyRMFCSAHDBWPPCV-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.52
Rot. Bonds5

About 2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide

2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide (PubChem CID 70916221) has the molecular formula C15H21F3N2O2S and a molecular weight of 350.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide
PubChem CID70916221
Molecular FormulaC15H21F3N2O2S
Molecular Weight350.41 g/mol
Exact Mass350.13
IUPAC Name2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide
SMILESCc1ccccc1C(NS(=O)(=O)CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C15H21F3N2O2S/c1-11-4-2-3-5-13(11)14(12-6-8-19-9-7-12)20-23(21,22)10-15(16,17)18/h2-5,12,14,19-20H,6-10H2,1H3
InChIKeyRMFCSAHDBWPPCV-UHFFFAOYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide (CID 70916221) is 2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide is Cc1ccccc1C(NS(=O)(=O)CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide?
The InChIKey is RMFCSAHDBWPPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2S/c1-11-4-2-3-5-13(11)14(12-6-8-19-9-7-12)20-23(21,22)10-15(16,17)18/h2-5,12,14,19-20H,6-10H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide?
2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide has a molecular weight of 350.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-methylphenyl)-piperidin-4-ylmethyl]ethanesulfonamide is sourced from PubChem (CID 70916221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).