4-(2,6-dichlorophenyl)sulfinylbutanoic acid

C10H10Cl2O3S — CID 115477555

IUPAC4-(2,6-dichlorophenyl)sulfinylbutanoic acid
SMILESO=C(O)CCCS(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2O3S/c11-7-3-1-4-8(12)10(7)16(15)6-2-5-9(13)14/h1,3-4H,2,5-6H2,(H,13,14)
InChIKeyUGXWLNCTZJSQKI-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.97
Rot. Bonds5

About 4-(2,6-dichlorophenyl)sulfinylbutanoic acid

4-(2,6-dichlorophenyl)sulfinylbutanoic acid (PubChem CID 115477555) has the molecular formula C10H10Cl2O3S and a molecular weight of 281.16 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)sulfinylbutanoic acid.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)sulfinylbutanoic acid
PubChem CID115477555
Molecular FormulaC10H10Cl2O3S
Molecular Weight281.16 g/mol
Exact Mass279.97
IUPAC Name4-(2,6-dichlorophenyl)sulfinylbutanoic acid
SMILESO=C(O)CCCS(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2O3S/c11-7-3-1-4-8(12)10(7)16(15)6-2-5-9(13)14/h1,3-4H,2,5-6H2,(H,13,14)
InChIKeyUGXWLNCTZJSQKI-UHFFFAOYSA-N
XLogP2.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,6-dichlorophenyl)sulfinylpentanoic acid
CID 115477563
5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine
CID 115477764
4-(4-propan-2-ylphenyl)sulfinylbutanoic acid
CID 61302941
6-(2-chloro-6-fluorophenyl)-6-oxohexanoic acid
CID 24727139
3-chloro-2-(4-phenylbutylsulfinyl)aniline
CID 114335078
6-(2,6-dichlorophenyl)sulfinyl-N-methylhexan-3-amine
CID 106808065
4-(2-chloro-6-fluorophenoxy)butanoic acid
CID 83051076
4-naphthalen-2-ylsulfinylbutanoic acid
CID 61302772
3-[(2,6-dichlorophenyl)sulfinylmethyl]benzoic acid
CID 115279690
4-[(3,4-dichlorophenyl)methylsulfinyl]butanoic acid
CID 123108575
4-(2-nitrophenyl)sulfinylbutanoic acid
CID 61303159
2,6-dichlorobenzenesulfinic acid
CID 13381876

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)sulfinylbutanoic acid?
The IUPAC name of 4-(2,6-dichlorophenyl)sulfinylbutanoic acid (CID 115477555) is 4-(2,6-dichlorophenyl)sulfinylbutanoic acid.
What is the SMILES notation for 4-(2,6-dichlorophenyl)sulfinylbutanoic acid?
The canonical SMILES for 4-(2,6-dichlorophenyl)sulfinylbutanoic acid is O=C(O)CCCS(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)sulfinylbutanoic acid?
The InChIKey is UGXWLNCTZJSQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3S/c11-7-3-1-4-8(12)10(7)16(15)6-2-5-9(13)14/h1,3-4H,2,5-6H2,(H,13,14).
What are the key properties of 4-(2,6-dichlorophenyl)sulfinylbutanoic acid?
4-(2,6-dichlorophenyl)sulfinylbutanoic acid has a molecular weight of 281.16 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)sulfinylbutanoic acid is sourced from PubChem (CID 115477555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).