4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide

C26H30FN3O2S — CID 53237216

IUPAC4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide
SMILESCc1ccc(N2CCN(CCCN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H30FN3O2S/c1-22-8-12-24(13-9-22)29-20-18-28(19-21-29)16-5-17-30(25-6-3-2-4-7-25)33(31,32)26-14-10-23(27)11-15-26/h2-4,6-15H,5,16-21H2,1H3
InChIKeyGJLBXEURXMGZMW-UHFFFAOYSA-N
MW467.61 g/mol
LogP4.54
Rot. Bonds8

About 4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide

4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide (PubChem CID 53237216) has the molecular formula C26H30FN3O2S and a molecular weight of 467.61 g/mol. Its IUPAC name is 4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide
PubChem CID53237216
Molecular FormulaC26H30FN3O2S
Molecular Weight467.61 g/mol
Exact Mass467.20
IUPAC Name4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide
SMILESCc1ccc(N2CCN(CCCN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H30FN3O2S/c1-22-8-12-24(13-9-22)29-20-18-28(19-21-29)16-5-17-30(25-6-3-2-4-7-25)33(31,32)26-14-10-23(27)11-15-26/h2-4,6-15H,5,16-21H2,1H3
InChIKeyGJLBXEURXMGZMW-UHFFFAOYSA-N
XLogP4.54
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 67800410
N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 90656672
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53279235
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2915393
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 50807906
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N-(4-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 1134605
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylbenzenesulfonamide
CID 42389477
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine
CID 21048764
N-(4-fluorophenyl)-4-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1009849
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43898723
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100511409

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide (CID 53237216) is 4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide is Cc1ccc(N2CCN(CCCN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide?
The InChIKey is GJLBXEURXMGZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2S/c1-22-8-12-24(13-9-22)29-20-18-28(19-21-29)16-5-17-30(25-6-3-2-4-7-25)33(31,32)26-14-10-23(27)11-15-26/h2-4,6-15H,5,16-21H2,1H3.
What are the key properties of 4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide?
4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide has a molecular weight of 467.61 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 53237216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).