1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine

C14H19Cl2NO3S — CID 25248844

IUPAC1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCOc1c(S(=O)(=O)N2CC(C)CC(C)C2)ccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO3S/c1-9-6-10(2)8-17(7-9)21(18,19)12-5-4-11(15)13(16)14(12)20-3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyWXDBBAQIURVLTJ-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.67
Rot. Bonds3

About 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine

1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 25248844) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID25248844
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC Name1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCOc1c(S(=O)(=O)N2CC(C)CC(C)C2)ccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO3S/c1-9-6-10(2)8-17(7-9)21(18,19)12-5-4-11(15)13(16)14(12)20-3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyWXDBBAQIURVLTJ-UHFFFAOYSA-N
XLogP3.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 50876448
(3S,5S)-3,5-dimethyl-1-(2,3,4-trichlorophenyl)sulfonylpiperidine
CID 124680623
(2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 98212078
(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 27244442
(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 802910
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 2178853
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 11841663
(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7314523
1-(2,3-dichloro-4-methoxyphenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105847
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845453
(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7749543
1-(2-chloro-5-nitrophenyl)sulfonyl-3,5-dimethylpiperidine
CID 43389412

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine (CID 25248844) is 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine is COc1c(S(=O)(=O)N2CC(C)CC(C)C2)ccc(Cl)c1Cl.
What is the InChIKey of 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is WXDBBAQIURVLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-9-6-10(2)8-17(7-9)21(18,19)12-5-4-11(15)13(16)14(12)20-3/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 352.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 25248844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).