1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one

C15H12Br2O3S — CID 3863548

IUPAC1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12Br2O3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-8H,9-10H2
InChIKeyVKWZYNTTZWHZES-UHFFFAOYSA-N
MW432.13 g/mol
LogP4.26
Rot. Bonds5

About 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one

1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one (PubChem CID 3863548) has the molecular formula C15H12Br2O3S and a molecular weight of 432.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one
PubChem CID3863548
Molecular FormulaC15H12Br2O3S
Molecular Weight432.13 g/mol
Exact Mass429.89
IUPAC Name1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12Br2O3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-8H,9-10H2
InChIKeyVKWZYNTTZWHZES-UHFFFAOYSA-N
XLogP4.26
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.13
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-2-(phenylsulphonyl)ethan-1-one
CID 76949
Benzenecarbothioic acid, S-(4-bromophenyl) ester
CID 34164
3-((4-Bromophenyl)sulfonyl)-1-(4-methylphenyl)-1-propanone
CID 3705881
2-Bromo-9H-thioxanthen-9-one 10,10-dioxide
CID 318102
(4-Bromophenyl)(4-(methylsulfonyl)phenyl)methanone
CID 21262853
(E)-1,3-bis(4-bromophenyl)-2-(2-bromophenyl)sulfanylprop-2-en-1-one
CID 24960742
(E)-1-(4-bromophenyl)-2-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)prop-2-en-1-one
CID 24960744
(E)-1,3-bis(4-bromophenyl)-2-(4-bromophenyl)sulfanylprop-2-en-1-one
CID 24961111
(E)-1-(4-bromophenyl)-2-(4-bromophenylthio)-3-(4-Iodophenyl)-prop-2-en-1-one
CID 24961475
(E)-1-(4-bromophenyl)-2-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)prop-2-en-1-one
CID 24962558
(E)-1-(4-bromophenyl)-2-[(4-methylphenyl)methylsulfonyl]-3-(4-methylsulfonylphenyl)prop-2-en-1-one
CID 52943209
1-Phenyl-3-(phenylsulfonyl)propan-1-one
CID 44437631

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one (CID 3863548) is 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one is O=C(CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one?
The InChIKey is VKWZYNTTZWHZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-8H,9-10H2.
What are the key properties of 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one?
1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one has a molecular weight of 432.13 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one is sourced from PubChem (CID 3863548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).