5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid

C12H8N2O6S — CID 61406295

IUPAC5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C12H8N2O6S/c15-6-1-2-8(7(5-6)12(17)18)13-11(16)9-3-4-10(21-9)14(19)20/h1-5,15H,(H,13,16)(H,17,18)
InChIKeyAACHINKUQXPVJN-UHFFFAOYSA-N
MW308.27 g/mol
LogP2.31
Rot. Bonds4

About 5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid

5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid (PubChem CID 61406295) has the molecular formula C12H8N2O6S and a molecular weight of 308.27 g/mol. Its IUPAC name is 5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid
PubChem CID61406295
Molecular FormulaC12H8N2O6S
Molecular Weight308.27 g/mol
Exact Mass308.01
IUPAC Name5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C12H8N2O6S/c15-6-1-2-8(7(5-6)12(17)18)13-11(16)9-3-4-10(21-9)14(19)20/h1-5,15H,(H,13,16)(H,17,18)
InChIKeyAACHINKUQXPVJN-UHFFFAOYSA-N
XLogP2.31
TPSA129.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid
CID 115295852
5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 4982404
N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide
CID 7688896
N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide
CID 112770102
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
N-(3-bromo-4-fluorophenyl)-5-nitrothiophene-2-carboxamide
CID 113245227
N-(2-bromo-5-chlorophenyl)-5-nitrothiophene-2-carboxamide
CID 113266436
5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722230
ethane;N-(3-hydroxy-4-pyridinyl)-5-nitrothiophene-2-carboxamide
CID 143408110
2-[(5-bromothiophene-2-carbonyl)amino]-5-iodobenzoic acid
CID 45345767
5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 16545699

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid (CID 61406295) is 5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid is O=C(Nc1ccc(O)cc1C(=O)O)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is AACHINKUQXPVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O6S/c15-6-1-2-8(7(5-6)12(17)18)13-11(16)9-3-4-10(21-9)14(19)20/h1-5,15H,(H,13,16)(H,17,18).
What are the key properties of 5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid?
5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 308.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61406295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).