1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine

C12H12BrCl2NO2S — CID 115767032

IUPAC1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C12H12BrCl2NO2S/c1-8-2-4-16(5-3-8)19(17,18)12-10(14)6-9(13)7-11(12)15/h2,6-7H,3-5H2,1H3
InChIKeyRKGXQYTVNYCACE-UHFFFAOYSA-N
MW385.11 g/mol
LogP4.10
Rot. Bonds2

About 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 115767032) has the molecular formula C12H12BrCl2NO2S and a molecular weight of 385.11 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID115767032
Molecular FormulaC12H12BrCl2NO2S
Molecular Weight385.11 g/mol
Exact Mass382.91
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C12H12BrCl2NO2S/c1-8-2-4-16(5-3-8)19(17,18)12-10(14)6-9(13)7-11(12)15/h2,6-7H,3-5H2,1H3
InChIKeyRKGXQYTVNYCACE-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.11
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407765
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767025
1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767029
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine
CID 63421045
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(chloromethyl)piperidine
CID 63400747
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18228816
4-chloro-3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzonitrile
CID 104919352
1-(4-chloro-2-methyl-5-nitrophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767003
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872723
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63980191
3-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407696
2-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561154

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine (CID 115767032) is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine is CC1=CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is RKGXQYTVNYCACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2NO2S/c1-8-2-4-16(5-3-8)19(17,18)12-10(14)6-9(13)7-11(12)15/h2,6-7H,3-5H2,1H3.
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 385.11 g/mol, XLogP of 4.10, 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-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 115767032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).