4-bromo-2-(3-methylsulfonylphenyl)thiophene

C11H9BrO2S2 — CID 68877839

IUPAC4-bromo-2-(3-methylsulfonylphenyl)thiophene
SMILESCS(=O)(=O)c1cccc(-c2cc(Br)cs2)c1
InChIInChI=1S/C11H9BrO2S2/c1-16(13,14)10-4-2-3-8(5-10)11-6-9(12)7-15-11/h2-7H,1H3
InChIKeyKXDXLFQIRVQBLR-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.58
Rot. Bonds2

About 4-bromo-2-(3-methylsulfonylphenyl)thiophene

4-bromo-2-(3-methylsulfonylphenyl)thiophene (PubChem CID 68877839) has the molecular formula C11H9BrO2S2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 4-bromo-2-(3-methylsulfonylphenyl)thiophene.

Molecular Properties

Compound Name4-bromo-2-(3-methylsulfonylphenyl)thiophene
PubChem CID68877839
Molecular FormulaC11H9BrO2S2
Molecular Weight317.23 g/mol
Exact Mass315.92
IUPAC Name4-bromo-2-(3-methylsulfonylphenyl)thiophene
SMILESCS(=O)(=O)c1cccc(-c2cc(Br)cs2)c1
InChIInChI=1S/C11H9BrO2S2/c1-16(13,14)10-4-2-3-8(5-10)11-6-9(12)7-15-11/h2-7H,1H3
InChIKeyKXDXLFQIRVQBLR-UHFFFAOYSA-N
XLogP3.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylsulfonylphenyl)thiophene
CID 141164326
2-bromo-5-(3-methylsulfonylphenyl)-1,3,4-thiadiazole
CID 63383604
4-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 170341986
5-(3-methylsulfonylphenyl)thiophene-2-carboxylic acid
CID 53486055
[5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine
CID 159006983
2-bromo-5-(3-methylsulfonylphenyl)phenol
CID 171383332
2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115847759
3-methyl-4-[5-(3-methylsulfonylphenyl)thiophen-3-yl]-8-(trifluoromethyl)quinoline
CID 68879022
3-bromo-4-methyl-5-(3-methylsulfonylphenyl)pyridine
CID 170459888
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
CID 57118843
2-bromo-5-methyl-3-(3-methylsulfonylphenyl)pyridine
CID 22058358
4-bromo-2-(4-fluorophenyl)thiophene
CID 69105863

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-methylsulfonylphenyl)thiophene?
The IUPAC name of 4-bromo-2-(3-methylsulfonylphenyl)thiophene (CID 68877839) is 4-bromo-2-(3-methylsulfonylphenyl)thiophene.
What is the SMILES notation for 4-bromo-2-(3-methylsulfonylphenyl)thiophene?
The canonical SMILES for 4-bromo-2-(3-methylsulfonylphenyl)thiophene is CS(=O)(=O)c1cccc(-c2cc(Br)cs2)c1.
What is the InChIKey of 4-bromo-2-(3-methylsulfonylphenyl)thiophene?
The InChIKey is KXDXLFQIRVQBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2S2/c1-16(13,14)10-4-2-3-8(5-10)11-6-9(12)7-15-11/h2-7H,1H3.
What are the key properties of 4-bromo-2-(3-methylsulfonylphenyl)thiophene?
4-bromo-2-(3-methylsulfonylphenyl)thiophene has a molecular weight of 317.23 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-methylsulfonylphenyl)thiophene is sourced from PubChem (CID 68877839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).