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

C19H20F3N3O3S — CID 2999449

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O3S/c20-19(21,22)15-5-4-6-16(13-15)23-18(26)14-24-9-11-25(12-10-24)29(27,28)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,23,26)
InChIKeyWSARRBFWPOIJFG-UHFFFAOYSA-N
MW427.45 g/mol
LogP2.65
Rot. Bonds5

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

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2999449) has the molecular formula C19H20F3N3O3S and a molecular weight of 427.45 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2999449
Molecular FormulaC19H20F3N3O3S
Molecular Weight427.45 g/mol
Exact Mass427.12
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O3S/c20-19(21,22)15-5-4-6-16(13-15)23-18(26)14-24-9-11-25(12-10-24)29(27,28)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,23,26)
InChIKeyWSARRBFWPOIJFG-UHFFFAOYSA-N
XLogP2.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278179
N-[4-(4-Acetylpiperazin-1-Yl)-2-Fluorobenzyl]-N-Cyclobutylbenzenesulfonamide
CID 86346644
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
2-[3-(3-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10416037
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108
2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180
AZ12260493
CID 11655079
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278151
2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2697446

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2999449) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WSARRBFWPOIJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3S/c20-19(21,22)15-5-4-6-16(13-15)23-18(26)14-24-9-11-25(12-10-24)29(27,28)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,23,26).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 427.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2999449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).