8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid

C17H12N2O7S — CID 23348368

IUPAC8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
SMILESO=C(Nc1ccc2ccc(S(=O)(=O)O)cc2c1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H12N2O7S/c20-16-14-9-13(27(24,25)26)7-3-10(14)4-8-15(16)18-17(21)11-1-5-12(6-2-11)19(22)23/h1-9,20H,(H,18,21)(H,24,25,26)
InChIKeyGFWJETFCOYXVCH-UHFFFAOYSA-N
MW388.36 g/mol
LogP2.95
Rot. Bonds4

About 8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid

8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid (PubChem CID 23348368) has the molecular formula C17H12N2O7S and a molecular weight of 388.36 g/mol. Its IUPAC name is 8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
PubChem CID23348368
Molecular FormulaC17H12N2O7S
Molecular Weight388.36 g/mol
Exact Mass388.04
IUPAC Name8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
SMILESO=C(Nc1ccc2ccc(S(=O)(=O)O)cc2c1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H12N2O7S/c20-16-14-9-13(27(24,25)26)7-3-10(14)4-8-15(16)18-17(21)11-1-5-12(6-2-11)19(22)23/h1-9,20H,(H,18,21)(H,24,25,26)
InChIKeyGFWJETFCOYXVCH-UHFFFAOYSA-N
XLogP2.95
TPSA146.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic 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

8-hydroxy-7-[(3-methyl-4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
CID 23348333
5-hydroxy-6-[[4-[[2-[4-[(1-hydroxy-6-sulfonaphthalen-2-yl)carbamoyl]anilino]-2-oxoacetyl]amino]benzoyl]amino]naphthalene-2-sulfonic acid
CID 23312852
8-[(4-nitrobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid
CID 23335920
6-hydroxy-3-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
CID 23348315
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 4982404
5-[[3-carbamoyl-5-[(4-nitrobenzoyl)amino]benzoyl]amino]naphthalene-2-sulfonic acid
CID 141031709
2-amino-5-[(4-nitrobenzoyl)amino]benzene-1,4-disulfonic acid
CID 23336095
7-hydroxy-6-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
CID 23348424
N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide
CID 5230659
CID 173449567
CID 173449567
4-hydroxy-5-[(2-methyl-4-nitrobenzoyl)amino]naphthalene-2,7-disulfonic acid
CID 57198974

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid?
The IUPAC name of 8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid (CID 23348368) is 8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid.
What is the SMILES notation for 8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid?
The canonical SMILES for 8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid is O=C(Nc1ccc2ccc(S(=O)(=O)O)cc2c1O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid?
The InChIKey is GFWJETFCOYXVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O7S/c20-16-14-9-13(27(24,25)26)7-3-10(14)4-8-15(16)18-17(21)11-1-5-12(6-2-11)19(22)23/h1-9,20H,(H,18,21)(H,24,25,26).
What are the key properties of 8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid?
8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid has a molecular weight of 388.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid is sourced from PubChem (CID 23348368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).