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

C16H22F3N3O3S — CID 119975015

IUPAC4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(N)C1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H22F3N3O3S/c1-11(20)12-6-8-22(9-7-12)26(24,25)14-4-2-13(3-5-14)15(23)21-10-16(17,18)19/h2-5,11-12H,6-10,20H2,1H3,(H,21,23)
InChIKeyHSTUUFHIHPLELW-UHFFFAOYSA-N
MW393.43 g/mol
LogP1.73
Rot. Bonds5

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

4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 119975015) has the molecular formula C16H22F3N3O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID119975015
Molecular FormulaC16H22F3N3O3S
Molecular Weight393.43 g/mol
Exact Mass393.13
IUPAC Name4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(N)C1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H22F3N3O3S/c1-11(20)12-6-8-22(9-7-12)26(24,25)14-4-2-13(3-5-14)15(23)21-10-16(17,18)19/h2-5,11-12H,6-10,20H2,1H3,(H,21,23)
InChIKeyHSTUUFHIHPLELW-UHFFFAOYSA-N
XLogP1.73
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119984592
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099
methyl 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate
CID 119974740
ethyl 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119974949
1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974952
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119974725
4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51294950
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 120777238
4-[3-(azepan-1-yl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 86900559
4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 32737680
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide (CID 119975015) is 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide is CC(N)C1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HSTUUFHIHPLELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S/c1-11(20)12-6-8-22(9-7-12)26(24,25)14-4-2-13(3-5-14)15(23)21-10-16(17,18)19/h2-5,11-12H,6-10,20H2,1H3,(H,21,23).
What are the key properties of 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 393.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 119975015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).