1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine

C16H14Cl3FN2O2S — CID 2279123

IUPAC1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H14Cl3FN2O2S/c17-13-5-6-14(16(19)15(13)18)25(23,24)22-9-7-21(8-10-22)12-3-1-11(20)2-4-12/h1-6H,7-10H2
InChIKeyIFBKDYVJFLWSNA-UHFFFAOYSA-N
MW423.72 g/mol
LogP4.30
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine

1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine (PubChem CID 2279123) has the molecular formula C16H14Cl3FN2O2S and a molecular weight of 423.72 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine
PubChem CID2279123
Molecular FormulaC16H14Cl3FN2O2S
Molecular Weight423.72 g/mol
Exact Mass421.98
IUPAC Name1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H14Cl3FN2O2S/c17-13-5-6-14(16(19)15(13)18)25(23,24)22-9-7-21(8-10-22)12-3-1-11(20)2-4-12/h1-6H,7-10H2
InChIKeyIFBKDYVJFLWSNA-UHFFFAOYSA-N
XLogP4.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.72
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
CID 710994
Piperazine, 1-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfonyl]-
CID 985376
1-[(3,4-Dichlorophenyl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine
CID 24906059
1-[(3,4-Dichlorophenyl)sulfonyl]-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine
CID 24906060
(2R)-1-[(3,4-dichlorophenyl)sulfonyl]-2-methyl-4-[2-(trifluoromethyl)phenyl]piperazine
CID 24906061
1-(3-Chlorophenyl)-4-(2,5-dichlorobenzene-1-sulfonyl)piperazine
CID 386370
1-[(4-Chlorophenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 985365
3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamide
CID 652727
2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide
CID 2696827
2,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
CID 24465010
N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butyl}-4-fluoro-benzenesulfonamide
CID 44403232
3,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide
CID 164624508

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine (CID 2279123) is 1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine?
The InChIKey is IFBKDYVJFLWSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3FN2O2S/c17-13-5-6-14(16(19)15(13)18)25(23,24)22-9-7-21(8-10-22)12-3-1-11(20)2-4-12/h1-6H,7-10H2.
What are the key properties of 1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine?
1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine has a molecular weight of 423.72 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(2,3,4-trichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 2279123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).