5-(2,6-dichlorophenyl)sulfinylpentanoic acid

C11H12Cl2O3S — CID 115477563

IUPAC5-(2,6-dichlorophenyl)sulfinylpentanoic acid
SMILESO=C(O)CCCCS(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2O3S/c12-8-4-3-5-9(13)11(8)17(16)7-2-1-6-10(14)15/h3-5H,1-2,6-7H2,(H,14,15)
InChIKeyUNEYUKAIAMCMCY-UHFFFAOYSA-N
MW295.19 g/mol
LogP3.36
Rot. Bonds6

About 5-(2,6-dichlorophenyl)sulfinylpentanoic acid

5-(2,6-dichlorophenyl)sulfinylpentanoic acid (PubChem CID 115477563) has the molecular formula C11H12Cl2O3S and a molecular weight of 295.19 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)sulfinylpentanoic acid.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)sulfinylpentanoic acid
PubChem CID115477563
Molecular FormulaC11H12Cl2O3S
Molecular Weight295.19 g/mol
Exact Mass293.99
IUPAC Name5-(2,6-dichlorophenyl)sulfinylpentanoic acid
SMILESO=C(O)CCCCS(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2O3S/c12-8-4-3-5-9(13)11(8)17(16)7-2-1-6-10(14)15/h3-5H,1-2,6-7H2,(H,14,15)
InChIKeyUNEYUKAIAMCMCY-UHFFFAOYSA-N
XLogP3.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dichlorophenyl)sulfinylbutanoic acid
CID 115477555
6-(2-chloro-6-fluorophenyl)-6-oxohexanoic acid
CID 24727139
5-(4-propan-2-ylphenyl)sulfinylpentanoic acid
CID 61302550
5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine
CID 115477764
5-(2-methoxyphenyl)sulfinylpentanoic acid
CID 61290365
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine
CID 106808065
5-(2,3-dichloroanilino)pentanoic acid
CID 28972138
4-(2-chloro-6-fluorophenoxy)butanoic acid
CID 83051076
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193
3-[(2,6-dichlorophenyl)sulfinylmethyl]benzoic acid
CID 115279690
5-(2,5-difluorophenyl)sulfinylpentanoic acid
CID 61303969

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)sulfinylpentanoic acid?
The IUPAC name of 5-(2,6-dichlorophenyl)sulfinylpentanoic acid (CID 115477563) is 5-(2,6-dichlorophenyl)sulfinylpentanoic acid.
What is the SMILES notation for 5-(2,6-dichlorophenyl)sulfinylpentanoic acid?
The canonical SMILES for 5-(2,6-dichlorophenyl)sulfinylpentanoic acid is O=C(O)CCCCS(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 5-(2,6-dichlorophenyl)sulfinylpentanoic acid?
The InChIKey is UNEYUKAIAMCMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3S/c12-8-4-3-5-9(13)11(8)17(16)7-2-1-6-10(14)15/h3-5H,1-2,6-7H2,(H,14,15).
What are the key properties of 5-(2,6-dichlorophenyl)sulfinylpentanoic acid?
5-(2,6-dichlorophenyl)sulfinylpentanoic acid has a molecular weight of 295.19 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)sulfinylpentanoic acid is sourced from PubChem (CID 115477563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).