1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone

C13H10Br2O3S2 — CID 64644455

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone
SMILESCc1ccc(S(=O)(=O)CC(=O)c2cc(Br)sc2Br)cc1
InChIInChI=1S/C13H10Br2O3S2/c1-8-2-4-9(5-3-8)20(17,18)7-11(16)10-6-12(14)19-13(10)15/h2-6H,7H2,1H3
InChIKeyAEVJIVBCUXDOFU-UHFFFAOYSA-N
MW438.16 g/mol
LogP4.24
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone

1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone (PubChem CID 64644455) has the molecular formula C13H10Br2O3S2 and a molecular weight of 438.16 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone
PubChem CID64644455
Molecular FormulaC13H10Br2O3S2
Molecular Weight438.16 g/mol
Exact Mass435.84
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone
SMILESCc1ccc(S(=O)(=O)CC(=O)c2cc(Br)sc2Br)cc1
InChIInChI=1S/C13H10Br2O3S2/c1-8-2-4-9(5-3-8)20(17,18)7-11(16)10-6-12(14)19-13(10)15/h2-6H,7H2,1H3
InChIKeyAEVJIVBCUXDOFU-UHFFFAOYSA-N
XLogP4.24
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.16
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone 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-(2,5-dibromothiophen-3-yl)-2-(3,4-difluorophenyl)sulfonylethanone
CID 64642993
1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone
CID 62784747
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491825
1-(2,5-dibromothiophen-3-yl)-2-(2-methylpropylsulfonyl)ethanone
CID 64641624
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone
CID 974035
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
1-(2,5-dibromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114021988
2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
CID 113237231
1-(5-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)sulfonylethanone
CID 64641563
3-(4-methylphenyl)sulfonyl-2-oxopropanal
CID 174250948
1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropan-2-one
CID 167548064
1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone
CID 64642312

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone (CID 64644455) is 1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone is Cc1ccc(S(=O)(=O)CC(=O)c2cc(Br)sc2Br)cc1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone?
The InChIKey is AEVJIVBCUXDOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O3S2/c1-8-2-4-9(5-3-8)20(17,18)7-11(16)10-6-12(14)19-13(10)15/h2-6H,7H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone?
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone has a molecular weight of 438.16 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone is sourced from PubChem (CID 64644455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).