2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C19H21F3N4O3S — CID 60500983

IUPAC2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESNS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H21F3N4O3S/c20-19(21,22)14-2-1-3-15(12-14)24-18(27)13-25-8-10-26(11-9-25)16-4-6-17(7-5-16)30(23,28)29/h1-7,12H,8-11,13H2,(H,24,27)(H2,23,28,29)
InChIKeyNJDITUIKBGUEMY-UHFFFAOYSA-N
MW442.46 g/mol
LogP2.11
Rot. Bonds5

About 2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 60500983) has the molecular formula C19H21F3N4O3S and a molecular weight of 442.46 g/mol. Its IUPAC name is 2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID60500983
Molecular FormulaC19H21F3N4O3S
Molecular Weight442.46 g/mol
Exact Mass442.13
IUPAC Name2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESNS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H21F3N4O3S/c20-19(21,22)14-2-1-3-15(12-14)24-18(27)13-25-8-10-26(11-9-25)16-4-6-17(7-5-16)30(23,28)29/h1-7,12H,8-11,13H2,(H,24,27)(H2,23,28,29)
InChIKeyNJDITUIKBGUEMY-UHFFFAOYSA-N
XLogP2.11
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698408
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344929
N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199175
N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500788
2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1051921
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
N-(2-ethyl-6-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78896380
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78897256
N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride
CID 171700191

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 60500983) is 2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is NS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NJDITUIKBGUEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3S/c20-19(21,22)14-2-1-3-15(12-14)24-18(27)13-25-8-10-26(11-9-25)16-4-6-17(7-5-16)30(23,28)29/h1-7,12H,8-11,13H2,(H,24,27)(H2,23,28,29).
What are the key properties of 2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 442.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 60500983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).