4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

C16H23ClF3N3O3S — CID 119984592

IUPAC4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1.Cl
InChIInChI=1S/C16H22F3N3O3S.ClH/c1-11(20)13-3-2-8-22(9-13)26(24,25)14-6-4-12(5-7-14)15(23)21-10-16(17,18)19;/h4-7,11,13H,2-3,8-10,20H2,1H3,(H,21,23);1H
InChIKeyCAHYBKUKIABLFE-UHFFFAOYSA-N
MW429.89 g/mol
LogP2.15
Rot. Bonds5

About 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (PubChem CID 119984592) has the molecular formula C16H23ClF3N3O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
PubChem CID119984592
Molecular FormulaC16H23ClF3N3O3S
Molecular Weight429.89 g/mol
Exact Mass429.11
IUPAC Name4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1.Cl
InChIInChI=1S/C16H22F3N3O3S.ClH/c1-11(20)13-3-2-8-22(9-13)26(24,25)14-6-4-12(5-7-14)15(23)21-10-16(17,18)19;/h4-7,11,13H,2-3,8-10,20H2,1H3,(H,21,23);1H
InChIKeyCAHYBKUKIABLFE-UHFFFAOYSA-N
XLogP2.15
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119975015
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119984385
4-[3-(azepan-1-yl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 86900559
ethyl 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119984527
1-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984263
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124684747
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51294950
1-[1-[4-(methylsulfonylmethyl)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984637
1-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 86813045
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The IUPAC name of 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (CID 119984592) is 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is CC(N)C1CCCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1.Cl.
What is the InChIKey of 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The InChIKey is CAHYBKUKIABLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S.ClH/c1-11(20)13-3-2-8-22(9-13)26(24,25)14-6-4-12(5-7-14)15(23)21-10-16(17,18)19;/h4-7,11,13H,2-3,8-10,20H2,1H3,(H,21,23);1H.
What are the key properties of 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride has a molecular weight of 429.89 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is sourced from PubChem (CID 119984592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).