5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid

C13H9Cl2NO4S — CID 43406221

IUPAC5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccc(Cl)s2)c(Cl)cc1C(=O)O
InChIInChI=1S/C13H9Cl2NO4S/c1-20-9-5-8(7(14)4-6(9)13(18)19)16-12(17)10-2-3-11(15)21-10/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeySSOFSUDFELLETB-UHFFFAOYSA-N
MW346.19 g/mol
LogP4.01
Rot. Bonds4

About 5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid

5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid (PubChem CID 43406221) has the molecular formula C13H9Cl2NO4S and a molecular weight of 346.19 g/mol. Its IUPAC name is 5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid
PubChem CID43406221
Molecular FormulaC13H9Cl2NO4S
Molecular Weight346.19 g/mol
Exact Mass344.96
IUPAC Name5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccc(Cl)s2)c(Cl)cc1C(=O)O
InChIInChI=1S/C13H9Cl2NO4S/c1-20-9-5-8(7(14)4-6(9)13(18)19)16-12(17)10-2-3-11(15)21-10/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeySSOFSUDFELLETB-UHFFFAOYSA-N
XLogP4.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid
CID 78980996
3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 63742413
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid
CID 104669440
5-chloro-4-(furan-3-carbonylamino)-2-methoxybenzoic acid
CID 43614418
4-(1,3-benzodioxole-5-carbonylamino)-5-chloro-2-methoxybenzoic acid
CID 45430005
5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 103018243
5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 45429945
4-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-chloro-2-methoxybenzoic acid
CID 79012377
5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 43406220
5-chloro-2-methoxy-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79271305

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid?
The IUPAC name of 5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid (CID 43406221) is 5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid.
What is the SMILES notation for 5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid?
The canonical SMILES for 5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid is COc1cc(NC(=O)c2ccc(Cl)s2)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid?
The InChIKey is SSOFSUDFELLETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4S/c1-20-9-5-8(7(14)4-6(9)13(18)19)16-12(17)10-2-3-11(15)21-10/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid?
5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid has a molecular weight of 346.19 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid is sourced from PubChem (CID 43406221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).