4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide

C14H20F3N3O2S — CID 89231894

IUPAC4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide
SMILESCN(C1CCN(CC(F)(F)F)CC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H20F3N3O2S/c1-19(23(21,22)13-4-2-11(18)3-5-13)12-6-8-20(9-7-12)10-14(15,16)17/h2-5,12H,6-10,18H2,1H3
InChIKeyLCZKGTPEEWIVFG-UHFFFAOYSA-N
MW351.39 g/mol
LogP1.92
Rot. Bonds4

About 4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide

4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 89231894) has the molecular formula C14H20F3N3O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide
PubChem CID89231894
Molecular FormulaC14H20F3N3O2S
Molecular Weight351.39 g/mol
Exact Mass351.12
IUPAC Name4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide
SMILESCN(C1CCN(CC(F)(F)F)CC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H20F3N3O2S/c1-19(23(21,22)13-4-2-11(18)3-5-13)12-6-8-20(9-7-12)10-14(15,16)17/h2-5,12H,6-10,18H2,1H3
InChIKeyLCZKGTPEEWIVFG-UHFFFAOYSA-N
XLogP1.92
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide (CID 89231894) is 4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide is CN(C1CCN(CC(F)(F)F)CC1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is LCZKGTPEEWIVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2S/c1-19(23(21,22)13-4-2-11(18)3-5-13)12-6-8-20(9-7-12)10-14(15,16)17/h2-5,12H,6-10,18H2,1H3.
What are the key properties of 4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide?
4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 89231894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).