sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate

C12H8Cl2NNaO2S — CID 23686411

IUPACsodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate
SMILESO=C([O-])Cc1sccc1Nc1c(Cl)cccc1Cl.[Na+]
InChIInChI=1S/C12H9Cl2NO2S.Na/c13-7-2-1-3-8(14)12(7)15-9-4-5-18-10(9)6-11(16)17;/h1-5,15H,6H2,(H,16,17);/q;+1/p-1
InChIKeyFSIYCAMYHDOOHJ-UHFFFAOYSA-M
MW324.16 g/mol
LogP0.09
Rot. Bonds4

About sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate

sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate (PubChem CID 23686411) has the molecular formula C12H8Cl2NNaO2S and a molecular weight of 324.16 g/mol. Its IUPAC name is sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate.

Molecular Properties

Compound Namesodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate
PubChem CID23686411
Molecular FormulaC12H8Cl2NNaO2S
Molecular Weight324.16 g/mol
Exact Mass322.96
IUPAC Namesodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate
SMILESO=C([O-])Cc1sccc1Nc1c(Cl)cccc1Cl.[Na+]
InChIInChI=1S/C12H9Cl2NO2S.Na/c13-7-2-1-3-8(14)12(7)15-9-4-5-18-10(9)6-11(16)17;/h1-5,15H,6H2,(H,16,17);/q;+1/p-1
InChIKeyFSIYCAMYHDOOHJ-UHFFFAOYSA-M
XLogP0.09
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid
CID 23457167
sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate
CID 23689082
2-[2-(2,6-dichloroanilino)phenyl]acetate;tris(hydroxymethyl)-methylazanium
CID 15917937
2-[2-(2-bromo-6-chloroanilino)phenyl]acetate
CID 71777020
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
sodium 2-(2,6-dichloroanilino)acetate
CID 23676612
sodium 2-(2,6-dichlorophenyl)acetate
CID 153409108
N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384810
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
sodium 2-[2-(2,6-dichloroanilino)phenyl]butanoate
CID 23672276
sodium;2-[2-(2,6-dichloroanilino)phenyl]acetate;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 68521742
2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide
CID 23457236

Frequently Asked Questions

What is the IUPAC name of sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate?
The IUPAC name of sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate (CID 23686411) is sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate.
What is the SMILES notation for sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate?
The canonical SMILES for sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate is O=C([O-])Cc1sccc1Nc1c(Cl)cccc1Cl.[Na+].
What is the InChIKey of sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate?
The InChIKey is FSIYCAMYHDOOHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9Cl2NO2S.Na/c13-7-2-1-3-8(14)12(7)15-9-4-5-18-10(9)6-11(16)17;/h1-5,15H,6H2,(H,16,17);/q;+1/p-1.
What are the key properties of sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate?
sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate has a molecular weight of 324.16 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate is sourced from PubChem (CID 23686411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).