4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid

C12H6Cl3NO3S — CID 107959571

IUPAC4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C12H6Cl3NO3S/c13-7-2-1-5(12(18)19)3-8(7)16-11(17)6-4-9(14)20-10(6)15/h1-4H,(H,16,17)(H,18,19)
InChIKeyFADBIYJEOZSGIC-UHFFFAOYSA-N
MW350.61 g/mol
LogP4.66
Rot. Bonds3

About 4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid

4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid (PubChem CID 107959571) has the molecular formula C12H6Cl3NO3S and a molecular weight of 350.61 g/mol. Its IUPAC name is 4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid
PubChem CID107959571
Molecular FormulaC12H6Cl3NO3S
Molecular Weight350.61 g/mol
Exact Mass348.91
IUPAC Name4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C12H6Cl3NO3S/c13-7-2-1-5(12(18)19)3-8(7)16-11(17)6-4-9(14)20-10(6)15/h1-4H,(H,16,17)(H,18,19)
InChIKeyFADBIYJEOZSGIC-UHFFFAOYSA-N
XLogP4.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.61
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
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4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
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4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43235977
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
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4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 104772643
4-chloro-3-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
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4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid
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3-[(2-amino-2-methylpropanoyl)amino]-4-chlorobenzoic acid
CID 61267024
3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270981

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid (CID 107959571) is 4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid is O=C(O)c1ccc(Cl)c(NC(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid?
The InChIKey is FADBIYJEOZSGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO3S/c13-7-2-1-5(12(18)19)3-8(7)16-11(17)6-4-9(14)20-10(6)15/h1-4H,(H,16,17)(H,18,19).
What are the key properties of 4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid?
4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid has a molecular weight of 350.61 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107959571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).