1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine

C13H17Cl2NO3S — CID 110869927

IUPAC1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H17Cl2NO3S/c1-19-9-10-3-2-6-16(8-10)20(17,18)11-4-5-12(14)13(15)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyOFEAIWFZVVUVKO-UHFFFAOYSA-N
MW338.26 g/mol
LogP3.04
Rot. Bonds4

About 1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine

1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine (PubChem CID 110869927) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
PubChem CID110869927
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H17Cl2NO3S/c1-19-9-10-3-2-6-16(8-10)20(17,18)11-4-5-12(14)13(15)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyOFEAIWFZVVUVKO-UHFFFAOYSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80676262
2-chloro-4-[4-(methoxymethyl)azepan-1-yl]sulfonylbenzoic acid
CID 136547952
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 63397150
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
CID 106589877
1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
CID 3718020
[4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine
CID 106590007
3,5-dichloro-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106585755
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylbenzonitrile
CID 47206307
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline
CID 115329743
N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106588733

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine (CID 110869927) is 1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine is COCC1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine?
The InChIKey is OFEAIWFZVVUVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-19-9-10-3-2-6-16(8-10)20(17,18)11-4-5-12(14)13(15)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine?
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine has a molecular weight of 338.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine is sourced from PubChem (CID 110869927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).