4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide

C20H24FN3O3S — CID 42175227

IUPAC4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O3S/c21-18-9-7-17(8-10-18)20(25)22-11-4-16-28(26,27)24-14-12-23(13-15-24)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2,(H,22,25)
InChIKeyJKTGEDDVDRNNSN-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.10
Rot. Bonds7

About 4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide

4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide (PubChem CID 42175227) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
PubChem CID42175227
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O3S/c21-18-9-7-17(8-10-18)20(25)22-11-4-16-28(26,27)24-14-12-23(13-15-24)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2,(H,22,25)
InChIKeyJKTGEDDVDRNNSN-UHFFFAOYSA-N
XLogP2.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide
CID 42175355
4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175284
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175426
3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175324
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide
CID 42175326
4-tert-butyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175781
2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175277

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide (CID 42175227) is 4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide is O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
The InChIKey is JKTGEDDVDRNNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c21-18-9-7-17(8-10-18)20(25)22-11-4-16-28(26,27)24-14-12-23(13-15-24)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2,(H,22,25).
What are the key properties of 4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide is sourced from PubChem (CID 42175227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).