N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

C18H19F2N3O3S — CID 4824691

IUPACN-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C18H19F2N3O3S/c19-14-3-1-5-16(11-14)21-18(24)13-22-7-9-23(10-8-22)27(25,26)17-6-2-4-15(20)12-17/h1-6,11-12H,7-10,13H2,(H,21,24)
InChIKeyLOXSJASUPIPPBT-UHFFFAOYSA-N
MW395.43 g/mol
LogP1.91
Rot. Bonds5

About N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 4824691) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID4824691
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC NameN-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C18H19F2N3O3S/c19-14-3-1-5-16(11-14)21-18(24)13-22-7-9-23(10-8-22)27(25,26)17-6-2-4-15(20)12-17/h1-6,11-12H,7-10,13H2,(H,21,24)
InChIKeyLOXSJASUPIPPBT-UHFFFAOYSA-N
XLogP1.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351787
N-(5-chloro-2-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801526
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8730879
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8966850
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351809
N-(2-bromo-4-methylphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217788
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 26630779
N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 9023316
N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 9023310
N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 31372732
N-[(2-chlorophenyl)methyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217730

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 4824691) is N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is LOXSJASUPIPPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c19-14-3-1-5-16(11-14)21-18(24)13-22-7-9-23(10-8-22)27(25,26)17-6-2-4-15(20)12-17/h1-6,11-12H,7-10,13H2,(H,21,24).
What are the key properties of N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 4824691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).