1-(2,3,4-trichlorophenyl)sulfonylpiperidine

C11H12Cl3NO2S — CID 21240790

IUPAC1-(2,3,4-trichlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCCCC1
InChIInChI=1S/C11H12Cl3NO2S/c12-8-4-5-9(11(14)10(8)13)18(16,17)15-6-2-1-3-7-15/h4-5H,1-3,6-7H2
InChIKeyPSMBLUHHSXZYFP-UHFFFAOYSA-N
MW328.65 g/mol
LogP3.82
Rot. Bonds2

About 1-(2,3,4-trichlorophenyl)sulfonylpiperidine

1-(2,3,4-trichlorophenyl)sulfonylpiperidine (PubChem CID 21240790) has the molecular formula C11H12Cl3NO2S and a molecular weight of 328.65 g/mol. Its IUPAC name is 1-(2,3,4-trichlorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2,3,4-trichlorophenyl)sulfonylpiperidine
PubChem CID21240790
Molecular FormulaC11H12Cl3NO2S
Molecular Weight328.65 g/mol
Exact Mass326.97
IUPAC Name1-(2,3,4-trichlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCCCC1
InChIInChI=1S/C11H12Cl3NO2S/c12-8-4-5-9(11(14)10(8)13)18(16,17)15-6-2-1-3-7-15/h4-5H,1-3,6-7H2
InChIKeyPSMBLUHHSXZYFP-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_2', 'substructure': 'N/A'}

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Related Compounds

(3S,5S)-3,5-dimethyl-1-(2,3,4-trichlorophenyl)sulfonylpiperidine
CID 124680623
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
1-(2,3-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350610
1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963200
1-[2-chloro-5-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine
CID 1101755
1,2,3-trichloro-4-(2,3,4-trichlorophenyl)sulfonylbenzene
CID 140967128
3-(azepan-1-ylsulfonyl)-2,5-dichlorobenzoic acid
CID 43419773
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 775480
1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine
CID 35289014
1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 60639503
1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole
CID 50876146

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trichlorophenyl)sulfonylpiperidine?
The IUPAC name of 1-(2,3,4-trichlorophenyl)sulfonylpiperidine (CID 21240790) is 1-(2,3,4-trichlorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(2,3,4-trichlorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(2,3,4-trichlorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCCCC1.
What is the InChIKey of 1-(2,3,4-trichlorophenyl)sulfonylpiperidine?
The InChIKey is PSMBLUHHSXZYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO2S/c12-8-4-5-9(11(14)10(8)13)18(16,17)15-6-2-1-3-7-15/h4-5H,1-3,6-7H2.
What are the key properties of 1-(2,3,4-trichlorophenyl)sulfonylpiperidine?
1-(2,3,4-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-(2,3,4-trichlorophenyl)sulfonylpiperidine is sourced from PubChem (CID 21240790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).