2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride

C12H15ClF3N3O3S — CID 122528792

IUPAC2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCl.O=C(Nc1ccc(S(=O)(=O)N2CCNCC2)cc1)C(F)(F)F
InChIInChI=1S/C12H14F3N3O3S.ClH/c13-12(14,15)11(19)17-9-1-3-10(4-2-9)22(20,21)18-7-5-16-6-8-18;/h1-4,16H,5-8H2,(H,17,19);1H
InChIKeyOWEZVEWRDBRUPK-UHFFFAOYSA-N
MW373.78 g/mol
LogP1.20
Rot. Bonds3

About 2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride

2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride (PubChem CID 122528792) has the molecular formula C12H15ClF3N3O3S and a molecular weight of 373.78 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride
PubChem CID122528792
Molecular FormulaC12H15ClF3N3O3S
Molecular Weight373.78 g/mol
Exact Mass373.05
IUPAC Name2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCl.O=C(Nc1ccc(S(=O)(=O)N2CCNCC2)cc1)C(F)(F)F
InChIInChI=1S/C12H14F3N3O3S.ClH/c13-12(14,15)11(19)17-9-1-3-10(4-2-9)22(20,21)18-7-5-16-6-8-18;/h1-4,16H,5-8H2,(H,17,19);1H
InChIKeyOWEZVEWRDBRUPK-UHFFFAOYSA-N
XLogP1.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.78
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chloropiperazin-1-yl)sulfonylphenyl]-2,2,2-trifluoroacetamide
CID 122549445
(4-piperazin-1-ylsulfonylphenyl)thiourea
CID 169360083
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-2,2,2-trifluoroacetamide
CID 120778234
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
4-piperazin-1-ylsulfonylbenzamide
CID 7131265
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 172616564
2-[(4-piperazin-1-ylsulfonylanilino)methylidene]propanedinitrile
CID 168545575
N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
CID 131852564
cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone
CID 82165047
2-methyl-1-(4-piperazin-1-ylsulfonylphenyl)propan-1-one
CID 82164843

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride (CID 122528792) is 2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride is Cl.O=C(Nc1ccc(S(=O)(=O)N2CCNCC2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The InChIKey is OWEZVEWRDBRUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3S.ClH/c13-12(14,15)11(19)17-9-1-3-10(4-2-9)22(20,21)18-7-5-16-6-8-18;/h1-4,16H,5-8H2,(H,17,19);1H.
What are the key properties of 2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride?
2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride has a molecular weight of 373.78 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 122528792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).