3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine

C11H12Cl3NO2S — CID 63397150

IUPAC3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCC(Cl)C1
InChIInChI=1S/C11H12Cl3NO2S/c12-8-2-1-5-15(7-8)18(16,17)9-3-4-10(13)11(14)6-9/h3-4,6,8H,1-2,5,7H2
InChIKeyRCJHQAAURUBUTK-UHFFFAOYSA-N
MW328.65 g/mol
LogP3.39
Rot. Bonds2

About 3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine

3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine (PubChem CID 63397150) has the molecular formula C11H12Cl3NO2S and a molecular weight of 328.65 g/mol. Its IUPAC name is 3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
PubChem CID63397150
Molecular FormulaC11H12Cl3NO2S
Molecular Weight328.65 g/mol
Exact Mass326.97
IUPAC Name3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCC(Cl)C1
InChIInChI=1S/C11H12Cl3NO2S/c12-8-2-1-5-15(7-8)18(16,17)9-3-4-10(13)11(14)6-9/h3-4,6,8H,1-2,5,7H2
InChIKeyRCJHQAAURUBUTK-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80676262
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
4-amino-1-(3,4-dichlorophenyl)sulfonylazepan-3-one
CID 18445248
2-chloro-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzoic acid
CID 107216439
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
methyl 1-(3,4-dichlorophenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732213
4-(3-aminopiperidin-1-yl)sulfonyl-2-chlorobenzoic acid
CID 107090004
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
1-(3,4-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350706
1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714288

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine?
The IUPAC name of 3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine (CID 63397150) is 3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine.
What is the SMILES notation for 3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine?
The canonical SMILES for 3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCC(Cl)C1.
What is the InChIKey of 3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine?
The InChIKey is RCJHQAAURUBUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO2S/c12-8-2-1-5-15(7-8)18(16,17)9-3-4-10(13)11(14)6-9/h3-4,6,8H,1-2,5,7H2.
What are the key properties of 3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine?
3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine has a molecular weight of 328.65 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine is sourced from PubChem (CID 63397150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).