1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine

C13H17BrClNO2S — CID 114269439

IUPAC1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine
SMILESCC1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C(C)C1
InChIInChI=1S/C13H17BrClNO2S/c1-9-6-7-16(10(2)8-9)19(17,18)13-11(14)4-3-5-12(13)15/h3-5,9-10H,6-8H2,1-2H3
InChIKeyWZPCEUQWURWLDC-UHFFFAOYSA-N
MW366.71 g/mol
LogP3.91
Rot. Bonds2

About 1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine

1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine (PubChem CID 114269439) has the molecular formula C13H17BrClNO2S and a molecular weight of 366.71 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine
PubChem CID114269439
Molecular FormulaC13H17BrClNO2S
Molecular Weight366.71 g/mol
Exact Mass364.99
IUPAC Name1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine
SMILESCC1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C(C)C1
InChIInChI=1S/C13H17BrClNO2S/c1-9-6-7-16(10(2)8-9)19(17,18)13-11(14)4-3-5-12(13)15/h3-5,9-10H,6-8H2,1-2H3
InChIKeyWZPCEUQWURWLDC-UHFFFAOYSA-N
XLogP3.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.71
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-Bromo-5-chlorophenyl)sulfonyl]-4-methylpiperidine
CID 1068610
1-[(2-Bromo-4-chlorophenyl)sulfonyl]piperidine
CID 772156
1-[(2-Bromo-4-chlorophenyl)sulfonyl]-4-methylpiperidine
CID 1068611
4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide
CID 93302282
2-bromo-6-chloro-4-fluoro-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124696741
(3R)-1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 31481793
(3S)-1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 31481794
1-(4-Bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 42912937
1-(4-Bromo-2-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 60639323
1-(4-Bromo-2-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine
CID 65532631
4-(1-Bromoethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine
CID 106839623
1-(2-Bromo-6-chloro-4-fluorophenyl)sulfonylpiperidin-4-amine
CID 120275227

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine?
The IUPAC name of 1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine (CID 114269439) is 1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine.
What is the SMILES notation for 1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine?
The canonical SMILES for 1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine is CC1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C(C)C1.
What is the InChIKey of 1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine?
The InChIKey is WZPCEUQWURWLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2S/c1-9-6-7-16(10(2)8-9)19(17,18)13-11(14)4-3-5-12(13)15/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine?
1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine has a molecular weight of 366.71 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine is sourced from PubChem (CID 114269439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).