1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine

C12H15Cl2NO4S2 — CID 90586568

IUPAC1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C12H15Cl2NO4S2/c1-20(16,17)9-5-7-15(8-6-9)21(18,19)12-10(13)3-2-4-11(12)14/h2-4,9H,5-8H2,1H3
InChIKeyYQLIFXAQTRAFBK-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.19
Rot. Bonds3

About 1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine

1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine (PubChem CID 90586568) has the molecular formula C12H15Cl2NO4S2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine
PubChem CID90586568
Molecular FormulaC12H15Cl2NO4S2
Molecular Weight372.30 g/mol
Exact Mass370.98
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C12H15Cl2NO4S2/c1-20(16,17)9-5-7-15(8-6-9)21(18,19)12-10(13)3-2-4-11(12)14/h2-4,9H,5-8H2,1H3
InChIKeyYQLIFXAQTRAFBK-UHFFFAOYSA-N
XLogP2.19
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
CID 94340426
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971606
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63874253
1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448622
1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine
CID 35934098
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812
4-methylsulfonyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine
CID 90586582
[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769479
[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7898414

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine (CID 90586568) is 1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine is CS(=O)(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine?
The InChIKey is YQLIFXAQTRAFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4S2/c1-20(16,17)9-5-7-15(8-6-9)21(18,19)12-10(13)3-2-4-11(12)14/h2-4,9H,5-8H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine?
1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine has a molecular weight of 372.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine is sourced from PubChem (CID 90586568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).