2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid

C10H11ClO4S — CID 103224926

IUPAC2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO4S/c1-15-6-9(10(12)13)16(14)8-4-2-7(11)3-5-8/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyTUFBMROCNPUYHI-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.55
Rot. Bonds5

About 2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid

2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid (PubChem CID 103224926) has the molecular formula C10H11ClO4S and a molecular weight of 262.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid
PubChem CID103224926
Molecular FormulaC10H11ClO4S
Molecular Weight262.71 g/mol
Exact Mass262.01
IUPAC Name2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO4S/c1-15-6-9(10(12)13)16(14)8-4-2-7(11)3-5-8/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyTUFBMROCNPUYHI-UHFFFAOYSA-N
XLogP1.55
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfinylbutanoic acid
CID 61304522
2-(4-chlorophenyl)sulfinyl-3-methylbutanoic acid
CID 61303324
2-[(S)-(4-chlorophenyl)sulfinyl]acetic acid
CID 13092891
2-(3,4-dichlorophenyl)sulfinylpentanoic acid
CID 83049975
2-(4-tert-butylphenyl)sulfinylbutanoic acid
CID 61302757
1-chloro-4-[(1S)-1-chloroethyl]sulfinylbenzene
CID 102076645
2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid
CID 81077193
4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid
CID 64696083
3-(4-chlorophenyl)sulfinylbutan-1-ol
CID 11368279
1-(4-chlorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
CID 113318003
3-amino-2-(benzenesulfinyl)propanoic acid
CID 64693814
methyl 2-acetamido-3-(4-chlorophenyl)sulfinylpropanoate
CID 65474608

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid?
The IUPAC name of 2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid (CID 103224926) is 2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid is COCC(C(=O)O)S(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid?
The InChIKey is TUFBMROCNPUYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4S/c1-15-6-9(10(12)13)16(14)8-4-2-7(11)3-5-8/h2-5,9H,6H2,1H3,(H,12,13).
What are the key properties of 2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid?
2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid has a molecular weight of 262.71 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid is sourced from PubChem (CID 103224926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).