N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide

C20H22F3N3O3S — CID 16801528

IUPACN-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O3S/c21-20(22,23)17-6-4-5-16(15-17)19(27)24-9-14-30(28,29)26-12-10-25(11-13-26)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,24,27)
InChIKeyUOBOUGRWTMWGAU-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.59
Rot. Bonds6

About N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide

N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide (PubChem CID 16801528) has the molecular formula C20H22F3N3O3S and a molecular weight of 441.48 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide
PubChem CID16801528
Molecular FormulaC20H22F3N3O3S
Molecular Weight441.48 g/mol
Exact Mass441.13
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O3S/c21-20(22,23)17-6-4-5-16(15-17)19(27)24-9-14-30(28,29)26-12-10-25(11-13-26)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,24,27)
InChIKeyUOBOUGRWTMWGAU-UHFFFAOYSA-N
XLogP2.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349576
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 22578894
2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349575
2-methoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349582
2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide
CID 41349548
4-phenyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]butanamide
CID 41349663
2-oxo-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]chromene-3-carboxamide
CID 41349669
3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175324
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
CID 61068183
4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175227
2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
CID 7188820

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide (CID 16801528) is N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide is O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UOBOUGRWTMWGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3S/c21-20(22,23)17-6-4-5-16(15-17)19(27)24-9-14-30(28,29)26-12-10-25(11-13-26)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,24,27).
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide?
N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 441.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 16801528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).