1-(5-bromothiophen-2-yl)sulfonylpropan-2-one

C7H7BrO3S2 — CID 28753742

IUPAC1-(5-bromothiophen-2-yl)sulfonylpropan-2-one
SMILESCC(=O)CS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H7BrO3S2/c1-5(9)4-13(10,11)7-3-2-6(8)12-7/h2-3H,4H2,1H3
InChIKeyXUKFAXJYMBDOAT-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.87
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)sulfonylpropan-2-one

1-(5-bromothiophen-2-yl)sulfonylpropan-2-one (PubChem CID 28753742) has the molecular formula C7H7BrO3S2 and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonylpropan-2-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonylpropan-2-one
PubChem CID28753742
Molecular FormulaC7H7BrO3S2
Molecular Weight283.17 g/mol
Exact Mass281.90
IUPAC Name1-(5-bromothiophen-2-yl)sulfonylpropan-2-one
SMILESCC(=O)CS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H7BrO3S2/c1-5(9)4-13(10,11)7-3-2-6(8)12-7/h2-3H,4H2,1H3
InChIKeyXUKFAXJYMBDOAT-UHFFFAOYSA-N
XLogP1.87
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide
CID 175452289
N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine
CID 95505346
(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid
CID 67189352
N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide
CID 4075609
(4-acetylphenyl) 5-bromothiophene-2-sulfonate
CID 26946052
2-(5-bromothiophen-2-yl)sulfonyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 42100225
2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 40751541
N-[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 8685029
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
CID 61060598
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpropan-2-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpropan-2-one (CID 28753742) is 1-(5-bromothiophen-2-yl)sulfonylpropan-2-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonylpropan-2-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonylpropan-2-one is CC(=O)CS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonylpropan-2-one?
The InChIKey is XUKFAXJYMBDOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO3S2/c1-5(9)4-13(10,11)7-3-2-6(8)12-7/h2-3H,4H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonylpropan-2-one?
1-(5-bromothiophen-2-yl)sulfonylpropan-2-one has a molecular weight of 283.17 g/mol, XLogP of 1.87, 3 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)sulfonylpropan-2-one is sourced from PubChem (CID 28753742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).