2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone

C20H25FN4O3S — CID 53283438

IUPAC2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCN(C)S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C20H25FN4O3S/c1-22(2)29(27,28)25(19-11-7-6-10-18(19)21)16-20(26)24-14-12-23(13-15-24)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
InChIKeyQEZZDBDRKHVKLY-UHFFFAOYSA-N
MW420.51 g/mol
LogP1.79
Rot. Bonds6

About 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone

2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 53283438) has the molecular formula C20H25FN4O3S and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID53283438
Molecular FormulaC20H25FN4O3S
Molecular Weight420.51 g/mol
Exact Mass420.16
IUPAC Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCN(C)S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C20H25FN4O3S/c1-22(2)29(27,28)25(19-11-7-6-10-18(19)21)16-20(26)24-14-12-23(13-15-24)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
InChIKeyQEZZDBDRKHVKLY-UHFFFAOYSA-N
XLogP1.79
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]piperidine-4-carboxamide
CID 92684224
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53283554
N-(2-ethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 4115834
N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
CID 113154693
N-(4-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 1134605
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30262751
2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone
CID 2711978
N-(3-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 4212038
2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone
CID 1289654
N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1137013
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113162185

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone (CID 53283438) is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone is CN(C)S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1F.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is QEZZDBDRKHVKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3S/c1-22(2)29(27,28)25(19-11-7-6-10-18(19)21)16-20(26)24-14-12-23(13-15-24)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3.
What are the key properties of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 420.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53283438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).