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

C12H14BrNO2S — CID 115767029

IUPAC1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H14BrNO2S/c1-10-6-8-14(9-7-10)17(15,16)12-4-2-11(13)3-5-12/h2-6H,7-9H2,1H3
InChIKeyOOMWLONEFOLYLH-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.79
Rot. Bonds2

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

1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 115767029) has the molecular formula C12H14BrNO2S and a molecular weight of 316.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID115767029
Molecular FormulaC12H14BrNO2S
Molecular Weight316.22 g/mol
Exact Mass314.99
IUPAC Name1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H14BrNO2S/c1-10-6-8-14(9-7-10)17(15,16)12-4-2-11(13)3-5-12/h2-6H,7-9H2,1H3
InChIKeyOOMWLONEFOLYLH-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767032
ethyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 130205049
1-(3-fluoro-4-nitrophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 114408746
2-hydroxy-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoic acid
CID 114408331
4-methyl-1-(4-methylphenyl)sulfonyl-2,3,6,7-tetrahydroazepine
CID 67224813
ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 144801740
N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 24695757
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767025
[5-bromo-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methanol
CID 114413836
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile
CID 107857510
3-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407696

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine (CID 115767029) is 1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine is CC1=CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is OOMWLONEFOLYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2S/c1-10-6-8-14(9-7-10)17(15,16)12-4-2-11(13)3-5-12/h2-6H,7-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 316.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 115767029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).