1-(2,4,5-trichlorophenyl)sulfonylpiperidine

C11H12Cl3NO2S — CID 699882

IUPAC1-(2,4,5-trichlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C11H12Cl3NO2S/c12-8-6-10(14)11(7-9(8)13)18(16,17)15-4-2-1-3-5-15/h6-7H,1-5H2
InChIKeyHBOJZNTYPACOSF-UHFFFAOYSA-N
MW328.65 g/mol
LogP3.82
Rot. Bonds2

About 1-(2,4,5-trichlorophenyl)sulfonylpiperidine

1-(2,4,5-trichlorophenyl)sulfonylpiperidine (PubChem CID 699882) has the molecular formula C11H12Cl3NO2S and a molecular weight of 328.65 g/mol. Its IUPAC name is 1-(2,4,5-trichlorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2,4,5-trichlorophenyl)sulfonylpiperidine
PubChem CID699882
Molecular FormulaC11H12Cl3NO2S
Molecular Weight328.65 g/mol
Exact Mass326.97
IUPAC Name1-(2,4,5-trichlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C11H12Cl3NO2S/c12-8-6-10(14)11(7-9(8)13)18(16,17)15-4-2-1-3-5-15/h6-7H,1-5H2
InChIKeyHBOJZNTYPACOSF-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.65
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 1-[(2,5-dichlorophenyl)sulfonyl]-
CID 646492
1-[(2,5-Dichlorophenyl)sulfonyl]-3-methylpiperidine
CID 2806415
1-[(2,3-Dichlorophenyl)sulfonyl]piperidine
CID 691910
2-[(2,4,5-Trichlorophenyl)sulfonyl]octahydropyrrolo[1,2-a]pyrazine
CID 6466850
1-(2,5-Dichloro benzene)-sulfonyl-cis-2,6-dimethyl piperidine
CID 44245424
1-Methyl-4-(2,4,5-trichloro-benzenesulfonyl)-piperazine
CID 775505
2,4,5-trichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 2804352
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,4,5-trichlorobenzenesulfonamide
CID 44420489
1-[(2,4,5-Trichlorophenyl)sulfonyl]pyrrolidine
CID 730794
1-(2,5-Dichlorophenyl)sulfonyl-2-methylpiperidine
CID 2806413
1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 2807165
1-[(3,4-Dichlorophenyl)sulfonyl]piperidine
CID 810121

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trichlorophenyl)sulfonylpiperidine?
The IUPAC name of 1-(2,4,5-trichlorophenyl)sulfonylpiperidine (CID 699882) is 1-(2,4,5-trichlorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(2,4,5-trichlorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(2,4,5-trichlorophenyl)sulfonylpiperidine is O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of 1-(2,4,5-trichlorophenyl)sulfonylpiperidine?
The InChIKey is HBOJZNTYPACOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO2S/c12-8-6-10(14)11(7-9(8)13)18(16,17)15-4-2-1-3-5-15/h6-7H,1-5H2.
What are the key properties of 1-(2,4,5-trichlorophenyl)sulfonylpiperidine?
1-(2,4,5-trichlorophenyl)sulfonylpiperidine has a molecular weight of 328.65 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trichlorophenyl)sulfonylpiperidine is sourced from PubChem (CID 699882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).