4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide

C24H32FN3O3S — CID 42767223

IUPAC4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCCCCCCCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C24H32FN3O3S/c1-2-3-4-5-6-7-24(29)28-18-16-27(17-19-28)22-12-10-21(11-13-22)26-32(30,31)23-14-8-20(25)9-15-23/h8-15,26H,2-7,16-19H2,1H3
InChIKeyBBOLXRIZALHBSV-UHFFFAOYSA-N
MW461.60 g/mol
LogP4.64
Rot. Bonds10

About 4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide

4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 42767223) has the molecular formula C24H32FN3O3S and a molecular weight of 461.60 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID42767223
Molecular FormulaC24H32FN3O3S
Molecular Weight461.60 g/mol
Exact Mass461.21
IUPAC Name4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCCCCCCCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C24H32FN3O3S/c1-2-3-4-5-6-7-24(29)28-18-16-27(17-19-28)22-12-10-21(11-13-22)26-32(30,31)23-14-8-20(25)9-15-23/h8-15,26H,2-7,16-19H2,1H3
InChIKeyBBOLXRIZALHBSV-UHFFFAOYSA-N
XLogP4.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide
CID 46230417
1-(4-methylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea
CID 3946205
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
CID 7329126
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3895993
4-methyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 169371487
2-chloro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]propanamide
CID 3919353
1-[4-(4-nitrophenyl)piperazin-1-yl]undecan-1-one
CID 4640074
4-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide
CID 6927654

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide (CID 42767223) is 4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide is CCCCCCCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is BBOLXRIZALHBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3S/c1-2-3-4-5-6-7-24(29)28-18-16-27(17-19-28)22-12-10-21(11-13-22)26-32(30,31)23-14-8-20(25)9-15-23/h8-15,26H,2-7,16-19H2,1H3.
What are the key properties of 4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide?
4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 461.60 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 42767223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).