2-(3,4-dichlorophenyl)sulfinylpentanoic acid

C11H12Cl2O3S — CID 83049975

IUPAC2-(3,4-dichlorophenyl)sulfinylpentanoic acid
SMILESCCCC(C(=O)O)S(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2O3S/c1-2-3-10(11(14)15)17(16)7-4-5-8(12)9(13)6-7/h4-6,10H,2-3H2,1H3,(H,14,15)
InChIKeyDDAFYDQSFTWYEE-UHFFFAOYSA-N
MW295.19 g/mol
LogP3.35
Rot. Bonds5

About 2-(3,4-dichlorophenyl)sulfinylpentanoic acid

2-(3,4-dichlorophenyl)sulfinylpentanoic acid (PubChem CID 83049975) has the molecular formula C11H12Cl2O3S and a molecular weight of 295.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)sulfinylpentanoic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)sulfinylpentanoic acid
PubChem CID83049975
Molecular FormulaC11H12Cl2O3S
Molecular Weight295.19 g/mol
Exact Mass293.99
IUPAC Name2-(3,4-dichlorophenyl)sulfinylpentanoic acid
SMILESCCCC(C(=O)O)S(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2O3S/c1-2-3-10(11(14)15)17(16)7-4-5-8(12)9(13)6-7/h4-6,10H,2-3H2,1H3,(H,14,15)
InChIKeyDDAFYDQSFTWYEE-UHFFFAOYSA-N
XLogP3.35
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfinylbutanoic acid
CID 61304522
ethyl 2-naphthalen-2-ylsulfinylpentanoate
CID 83040226
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883
3-amino-2-(3,4-dimethylphenyl)sulfinylpropanoic acid
CID 64693818
2-(3,4-dichlorophenyl)hexanoic acid
CID 18626644
2-(4-tert-butylphenyl)sulfinylbutanoic acid
CID 61302757
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid
CID 64696083
2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid
CID 126563751
2-(3,4-dichlorophenyl)sulfinyl-2,2-difluoroacetic acid
CID 81217052
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
2-[(2,4-dichlorophenyl)methylsulfinyl]butanoic acid
CID 105355502

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)sulfinylpentanoic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)sulfinylpentanoic acid (CID 83049975) is 2-(3,4-dichlorophenyl)sulfinylpentanoic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)sulfinylpentanoic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)sulfinylpentanoic acid is CCCC(C(=O)O)S(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)sulfinylpentanoic acid?
The InChIKey is DDAFYDQSFTWYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3S/c1-2-3-10(11(14)15)17(16)7-4-5-8(12)9(13)6-7/h4-6,10H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-(3,4-dichlorophenyl)sulfinylpentanoic acid?
2-(3,4-dichlorophenyl)sulfinylpentanoic acid has a molecular weight of 295.19 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)sulfinylpentanoic acid is sourced from PubChem (CID 83049975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).