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

C25H26FN3O3S — CID 24588851

IUPAC3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H26FN3O3S/c26-22-11-5-7-13-24(22)33(31,32)29-18-16-28(17-19-29)15-14-25(30)27-23-12-6-4-10-21(23)20-8-2-1-3-9-20/h1-13H,14-19H2,(H,27,30)
InChIKeyIYBLSDAKURHKTB-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.83
Rot. Bonds7

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

3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide (PubChem CID 24588851) has the molecular formula C25H26FN3O3S and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide
PubChem CID24588851
Molecular FormulaC25H26FN3O3S
Molecular Weight467.57 g/mol
Exact Mass467.17
IUPAC Name3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H26FN3O3S/c26-22-11-5-7-13-24(22)33(31,32)29-18-16-28(17-19-29)15-14-25(30)27-23-12-6-4-10-21(23)20-8-2-1-3-9-20/h1-13H,14-19H2,(H,27,30)
InChIKeyIYBLSDAKURHKTB-UHFFFAOYSA-N
XLogP3.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 27185152
N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24587410
N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide
CID 24588853
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 2655902
N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24589202
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
CID 8749460
N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
CID 31992841
[1-[3-[4-[[(2-fluorophenyl)sulfonylamino]methyl]anilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15984594
3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 24589351
1-(2-fluorophenyl)sulfonyl-4-pentylpiperazine
CID 45369127
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8771312

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide (CID 24588851) is 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide is O=C(CCN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide?
The InChIKey is IYBLSDAKURHKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3S/c26-22-11-5-7-13-24(22)33(31,32)29-18-16-28(17-19-29)15-14-25(30)27-23-12-6-4-10-21(23)20-8-2-1-3-9-20/h1-13H,14-19H2,(H,27,30).
What are the key properties of 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide?
3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide has a molecular weight of 467.57 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 24588851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).