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

C12H14Cl3NO2S — CID 2806414

IUPAC2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3NO2S/c1-8-4-2-3-5-16(8)19(17,18)12-7-10(14)9(13)6-11(12)15/h6-8H,2-5H2,1H3
InChIKeyMFNSLKMTFOOJKS-UHFFFAOYSA-N
MW342.68 g/mol
LogP4.21
Rot. Bonds2

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

2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine (PubChem CID 2806414) has the molecular formula C12H14Cl3NO2S and a molecular weight of 342.68 g/mol. Its IUPAC name is 2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine
PubChem CID2806414
Molecular FormulaC12H14Cl3NO2S
Molecular Weight342.68 g/mol
Exact Mass340.98
IUPAC Name2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3NO2S/c1-8-4-2-3-5-16(8)19(17,18)12-7-10(14)9(13)6-11(12)15/h6-8H,2-5H2,1H3
InChIKeyMFNSLKMTFOOJKS-UHFFFAOYSA-N
XLogP4.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.68
LogP ≤ 54.21
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-[(2,3-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
N1-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-2,4,5-trichlorobenzene-1-sulfonamide
CID 2802667
2,4,5-trichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 2804352
2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 710741
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 2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine?
The IUPAC name of 2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine (CID 2806414) is 2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine.
What is the SMILES notation for 2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine?
The canonical SMILES for 2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine is CC1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine?
The InChIKey is MFNSLKMTFOOJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO2S/c1-8-4-2-3-5-16(8)19(17,18)12-7-10(14)9(13)6-11(12)15/h6-8H,2-5H2,1H3.
What are the key properties of 2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine?
2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine has a molecular weight of 342.68 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,5-trichlorophenyl)sulfonylpiperidine is sourced from PubChem (CID 2806414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).