2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide

C20H22Cl2FN3O3S — CID 42175526

IUPAC2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H22Cl2FN3O3S/c21-15-6-7-17(22)16(14-15)20(27)24-8-3-13-30(28,29)26-11-9-25(10-12-26)19-5-2-1-4-18(19)23/h1-2,4-7,14H,3,8-13H2,(H,24,27)
InChIKeyNRMIFJZUCBOOIJ-UHFFFAOYSA-N
MW474.39 g/mol
LogP3.40
Rot. Bonds7

About 2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide

2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide (PubChem CID 42175526) has the molecular formula C20H22Cl2FN3O3S and a molecular weight of 474.39 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
PubChem CID42175526
Molecular FormulaC20H22Cl2FN3O3S
Molecular Weight474.39 g/mol
Exact Mass473.07
IUPAC Name2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H22Cl2FN3O3S/c21-15-6-7-17(22)16(14-15)20(27)24-8-3-13-30(28,29)26-11-9-25(10-12-26)19-5-2-1-4-18(19)23/h1-2,4-7,14H,3,8-13H2,(H,24,27)
InChIKeyNRMIFJZUCBOOIJ-UHFFFAOYSA-N
XLogP3.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 53.40
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

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide
CID 42175473
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide
CID 42175567
2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439032
3-cyano-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175610
5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42224226
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
CID 7188764
5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175671
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-propylpentanamide
CID 41349364
2-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565382
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitrobenzamide
CID 16825826

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide (CID 42175526) is 2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide is O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide?
The InChIKey is NRMIFJZUCBOOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2FN3O3S/c21-15-6-7-17(22)16(14-15)20(27)24-8-3-13-30(28,29)26-11-9-25(10-12-26)19-5-2-1-4-18(19)23/h1-2,4-7,14H,3,8-13H2,(H,24,27).
What are the key properties of 2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide?
2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide has a molecular weight of 474.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide is sourced from PubChem (CID 42175526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).