3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide

C15H20F3N3O3S — CID 110343225

IUPAC3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCN1CCN(S(=O)(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H20F3N3O3S/c1-20-6-8-21(9-7-20)25(23,24)10-5-14(22)19-13-4-2-3-12(11-13)15(16,17)18/h2-4,11H,5-10H2,1H3,(H,19,22)
InChIKeyIVEIMKHZDPKIIA-UHFFFAOYSA-N
MW379.40 g/mol
LogP1.61
Rot. Bonds5

About 3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide

3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 110343225) has the molecular formula C15H20F3N3O3S and a molecular weight of 379.40 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID110343225
Molecular FormulaC15H20F3N3O3S
Molecular Weight379.40 g/mol
Exact Mass379.12
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCN1CCN(S(=O)(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H20F3N3O3S/c1-20-6-8-21(9-7-20)25(23,24)10-5-14(22)19-13-4-2-3-12(11-13)15(16,17)18/h2-4,11H,5-10H2,1H3,(H,19,22)
InChIKeyIVEIMKHZDPKIIA-UHFFFAOYSA-N
XLogP1.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4286052
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912608
3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113136185
3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 26821529
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 15993096
N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540688
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 110343225) is 3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide is CN1CCN(S(=O)(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IVEIMKHZDPKIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3S/c1-20-6-8-21(9-7-20)25(23,24)10-5-14(22)19-13-4-2-3-12(11-13)15(16,17)18/h2-4,11H,5-10H2,1H3,(H,19,22).
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 379.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 110343225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).