4-(3-bromophenyl)sulfinylpentan-2-one

C11H13BrO2S — CID 64705238

IUPAC4-(3-bromophenyl)sulfinylpentan-2-one
SMILESCC(=O)CC(C)S(=O)c1cccc(Br)c1
InChIInChI=1S/C11H13BrO2S/c1-8(13)6-9(2)15(14)11-5-3-4-10(12)7-11/h3-5,7,9H,6H2,1-2H3
InChIKeyUEHDITXVYBQBCK-UHFFFAOYSA-N
MW289.19 g/mol
LogP2.92
Rot. Bonds4

About 4-(3-bromophenyl)sulfinylpentan-2-one

4-(3-bromophenyl)sulfinylpentan-2-one (PubChem CID 64705238) has the molecular formula C11H13BrO2S and a molecular weight of 289.19 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfinylpentan-2-one.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfinylpentan-2-one
PubChem CID64705238
Molecular FormulaC11H13BrO2S
Molecular Weight289.19 g/mol
Exact Mass287.98
IUPAC Name4-(3-bromophenyl)sulfinylpentan-2-one
SMILESCC(=O)CC(C)S(=O)c1cccc(Br)c1
InChIInChI=1S/C11H13BrO2S/c1-8(13)6-9(2)15(14)11-5-3-4-10(12)7-11/h3-5,7,9H,6H2,1-2H3
InChIKeyUEHDITXVYBQBCK-UHFFFAOYSA-N
XLogP2.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-bromophenyl)sulfinylpentan-2-one 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

4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine
CID 64702612
2-(3-bromophenyl)sulfinylpropanenitrile
CID 64689604
6-(3-bromophenyl)sulfinylhexan-2-one
CID 64637383
1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579
4-(4-methylsulfonylphenyl)sulfinylpentan-2-one
CID 64703865
4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one
CID 82135319
4-[(3-bromophenyl)methoxy]pentan-2-one
CID 82826907
2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine
CID 64659944
4-(3-bromophenyl)sulfinylbutan-2-amine
CID 64660137
(4S)-5-amino-4-(3-bromophenyl)pentan-2-one
CID 166707434
2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine
CID 64657598
1-bromo-3-[(S)-butylsulfinyl]benzene
CID 95969928

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfinylpentan-2-one?
The IUPAC name of 4-(3-bromophenyl)sulfinylpentan-2-one (CID 64705238) is 4-(3-bromophenyl)sulfinylpentan-2-one.
What is the SMILES notation for 4-(3-bromophenyl)sulfinylpentan-2-one?
The canonical SMILES for 4-(3-bromophenyl)sulfinylpentan-2-one is CC(=O)CC(C)S(=O)c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)sulfinylpentan-2-one?
The InChIKey is UEHDITXVYBQBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2S/c1-8(13)6-9(2)15(14)11-5-3-4-10(12)7-11/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)sulfinylpentan-2-one?
4-(3-bromophenyl)sulfinylpentan-2-one has a molecular weight of 289.19 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfinylpentan-2-one is sourced from PubChem (CID 64705238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).