N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide

C15H20F3N3O5S2 — CID 55605549

IUPACN-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H20F3N3O5S2/c1-19(27(2,23)24)11-14(22)20-6-8-21(9-7-20)28(25,26)13-5-3-4-12(10-13)15(16,17)18/h3-5,10H,6-9,11H2,1-2H3
InChIKeySNROCTPWIDSKRW-UHFFFAOYSA-N
MW443.47 g/mol
LogP0.43
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide

N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide (PubChem CID 55605549) has the molecular formula C15H20F3N3O5S2 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide
PubChem CID55605549
Molecular FormulaC15H20F3N3O5S2
Molecular Weight443.47 g/mol
Exact Mass443.08
IUPAC NameN-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H20F3N3O5S2/c1-19(27(2,23)24)11-14(22)20-6-8-21(9-7-20)28(25,26)13-5-3-4-12(10-13)15(16,17)18/h3-5,10H,6-9,11H2,1-2H3
InChIKeySNROCTPWIDSKRW-UHFFFAOYSA-N
XLogP0.43
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide 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

N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 55605472
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pentan-1-one
CID 78780067
2-(2-chlorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 52897146
2-(2-methoxyphenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 2664294
2-(4-methylpiperidin-1-yl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 78822372
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405977
N-methyl-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 27183288
cyclopropyl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8925087
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
(2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119265690
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55339531
N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
CID 17487848

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide (CID 55605549) is N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide is CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide?
The InChIKey is SNROCTPWIDSKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O5S2/c1-19(27(2,23)24)11-14(22)20-6-8-21(9-7-20)28(25,26)13-5-3-4-12(10-13)15(16,17)18/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide has a molecular weight of 443.47 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 55605549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).