1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone

C15H15BrO3S2 — CID 64642312

IUPAC1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone
SMILESCC(C)c1ccc(S(=O)(=O)CC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H15BrO3S2/c1-10(2)11-3-5-12(6-4-11)21(18,19)9-13(17)14-7-8-15(16)20-14/h3-8,10H,9H2,1-2H3
InChIKeyOFQJGWABFRMZPQ-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.29
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone

1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone (PubChem CID 64642312) has the molecular formula C15H15BrO3S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone
PubChem CID64642312
Molecular FormulaC15H15BrO3S2
Molecular Weight387.32 g/mol
Exact Mass385.96
IUPAC Name1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone
SMILESCC(C)c1ccc(S(=O)(=O)CC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H15BrO3S2/c1-10(2)11-3-5-12(6-4-11)21(18,19)9-13(17)14-7-8-15(16)20-14/h3-8,10H,9H2,1-2H3
InChIKeyOFQJGWABFRMZPQ-UHFFFAOYSA-N
XLogP4.29
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)sulfonylethanone
CID 64641563
1-(3-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone
CID 64643467
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone
CID 64637513
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
CID 3937721
1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone
CID 64637362
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone
CID 64644455
1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one
CID 82291001
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate
CID 42984824
1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone
CID 82950806
ethyl (2S)-4-(5-bromothiophen-2-yl)-2-methyl-4-oxobutanoate
CID 125473072

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone (CID 64642312) is 1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone is CC(C)c1ccc(S(=O)(=O)CC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone?
The InChIKey is OFQJGWABFRMZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3S2/c1-10(2)11-3-5-12(6-4-11)21(18,19)9-13(17)14-7-8-15(16)20-14/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone?
1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone has a molecular weight of 387.32 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone is sourced from PubChem (CID 64642312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).