2-[1-(4-bromophenyl)ethylsulfonyl]pyridine

C13H12BrNO2S — CID 22764673

IUPAC2-[1-(4-bromophenyl)ethylsulfonyl]pyridine
SMILESCC(c1ccc(Br)cc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C13H12BrNO2S/c1-10(11-5-7-12(14)8-6-11)18(16,17)13-4-2-3-9-15-13/h2-10H,1H3
InChIKeyUGLCIFPEFDKLEF-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.38
Rot. Bonds3

About 2-[1-(4-bromophenyl)ethylsulfonyl]pyridine

2-[1-(4-bromophenyl)ethylsulfonyl]pyridine (PubChem CID 22764673) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylsulfonyl]pyridine.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylsulfonyl]pyridine
PubChem CID22764673
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC Name2-[1-(4-bromophenyl)ethylsulfonyl]pyridine
SMILESCC(c1ccc(Br)cc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C13H12BrNO2S/c1-10(11-5-7-12(14)8-6-11)18(16,17)13-4-2-3-9-15-13/h2-10H,1H3
InChIKeyUGLCIFPEFDKLEF-UHFFFAOYSA-N
XLogP3.38
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine
CID 21438617
2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine
CID 22764678
2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine
CID 56617000
2-(1-fluoro-2-methylpropyl)sulfonylpyridine
CID 141385897
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
2-(tribromomethylsulfonyl)pyridine
CID 159318212
N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 101377414
2-phenyl-2-pyridin-2-ylsulfonylacetonitrile
CID 25186357
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246
N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide
CID 86992799

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylsulfonyl]pyridine?
The IUPAC name of 2-[1-(4-bromophenyl)ethylsulfonyl]pyridine (CID 22764673) is 2-[1-(4-bromophenyl)ethylsulfonyl]pyridine.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylsulfonyl]pyridine?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylsulfonyl]pyridine is CC(c1ccc(Br)cc1)S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylsulfonyl]pyridine?
The InChIKey is UGLCIFPEFDKLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-10(11-5-7-12(14)8-6-11)18(16,17)13-4-2-3-9-15-13/h2-10H,1H3.
What are the key properties of 2-[1-(4-bromophenyl)ethylsulfonyl]pyridine?
2-[1-(4-bromophenyl)ethylsulfonyl]pyridine has a molecular weight of 326.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylsulfonyl]pyridine is sourced from PubChem (CID 22764673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).