1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine

C16H14Cl4N2O2S — CID 17372732

IUPAC1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H14Cl4N2O2S/c17-11-2-1-3-12(8-11)21-4-6-22(7-5-21)25(23,24)16-10-14(19)13(18)9-15(16)20/h1-3,8-10H,4-7H2
InChIKeyASTIBVGIMKXVLJ-UHFFFAOYSA-N
MW440.18 g/mol
LogP4.81
Rot. Bonds3

About 1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine

1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine (PubChem CID 17372732) has the molecular formula C16H14Cl4N2O2S and a molecular weight of 440.18 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
PubChem CID17372732
Molecular FormulaC16H14Cl4N2O2S
Molecular Weight440.18 g/mol
Exact Mass437.95
IUPAC Name1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H14Cl4N2O2S/c17-11-2-1-3-12(8-11)21-4-6-22(7-5-21)25(23,24)16-10-14(19)13(18)9-15(16)20/h1-3,8-10H,4-7H2
InChIKeyASTIBVGIMKXVLJ-UHFFFAOYSA-N
XLogP4.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.18
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,5-trichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3286417
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260
5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 22515867
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
CID 1210841
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 997461
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
CID 34117775
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2462968
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076904
1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 91669823

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine (CID 17372732) is 1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine is O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine?
The InChIKey is ASTIBVGIMKXVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl4N2O2S/c17-11-2-1-3-12(8-11)21-4-6-22(7-5-21)25(23,24)16-10-14(19)13(18)9-15(16)20/h1-3,8-10H,4-7H2.
What are the key properties of 1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine?
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine has a molecular weight of 440.18 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 17372732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).