4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide

C15H22F3N3O2S — CID 89231818

IUPAC4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide
SMILESCN(C1CCN(CCC(F)(F)F)CC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H22F3N3O2S/c1-20(24(22,23)14-4-2-12(19)3-5-14)13-6-9-21(10-7-13)11-8-15(16,17)18/h2-5,13H,6-11,19H2,1H3
InChIKeyCMUFVOBSXZKLKS-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.31
Rot. Bonds5

About 4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide

4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 89231818) has the molecular formula C15H22F3N3O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide
PubChem CID89231818
Molecular FormulaC15H22F3N3O2S
Molecular Weight365.42 g/mol
Exact Mass365.14
IUPAC Name4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide
SMILESCN(C1CCN(CCC(F)(F)F)CC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H22F3N3O2S/c1-20(24(22,23)14-4-2-12(19)3-5-14)13-6-9-21(10-7-13)11-8-15(16,17)18/h2-5,13H,6-11,19H2,1H3
InChIKeyCMUFVOBSXZKLKS-UHFFFAOYSA-N
XLogP2.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.31
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-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide (CID 89231818) is 4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide is CN(C1CCN(CCC(F)(F)F)CC1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is CMUFVOBSXZKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2S/c1-20(24(22,23)14-4-2-12(19)3-5-14)13-6-9-21(10-7-13)11-8-15(16,17)18/h2-5,13H,6-11,19H2,1H3.
What are the key properties of 4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide?
4-amino-N-methyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 365.42 g/mol, XLogP of 2.31, 5 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-(3,3,3-trifluoropropyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 89231818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).