1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine

C13H16BrCl2NO2S — CID 18228816

IUPAC1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1
InChIInChI=1S/C13H16BrCl2NO2S/c1-8-3-9(2)7-17(6-8)20(18,19)13-11(15)4-10(14)5-12(13)16/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyGXHYBNDPTCUQQB-UHFFFAOYSA-N
MW401.15 g/mol
LogP4.42
Rot. Bonds2

About 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 18228816) has the molecular formula C13H16BrCl2NO2S and a molecular weight of 401.15 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID18228816
Molecular FormulaC13H16BrCl2NO2S
Molecular Weight401.15 g/mol
Exact Mass398.95
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1
InChIInChI=1S/C13H16BrCl2NO2S/c1-8-3-9(2)7-17(6-8)20(18,19)13-11(15)4-10(14)5-12(13)16/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyGXHYBNDPTCUQQB-UHFFFAOYSA-N
XLogP4.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.15
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872723
2-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561154
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one
CID 63100893
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine
CID 63421045
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(chloromethyl)piperidine
CID 63400747
4-bromo-2-(3,5-dimethylpiperidin-1-yl)sulfonylaniline
CID 54888558
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(bromomethyl)pyrrolidine
CID 80675380
(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7749543
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 63900099
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63980191
(3S,5S)-3,5-dimethyl-1-(2,3,4-trichlorophenyl)sulfonylpiperidine
CID 124680623
3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline
CID 43257069

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine (CID 18228816) is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is GXHYBNDPTCUQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl2NO2S/c1-8-3-9(2)7-17(6-8)20(18,19)13-11(15)4-10(14)5-12(13)16/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine?
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 401.15 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 18228816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).