2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid

C17H14N2O5S — CID 23348095

IUPAC2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid
SMILESNc1ccc(C(=O)Nc2ccc3c(O)cccc3c2S(=O)(=O)O)cc1
InChIInChI=1S/C17H14N2O5S/c18-11-6-4-10(5-7-11)17(21)19-14-9-8-12-13(2-1-3-15(12)20)16(14)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChIKeyVYNPKQZXUJYNJU-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.63
Rot. Bonds3

About 2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid

2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid (PubChem CID 23348095) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid
PubChem CID23348095
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid
SMILESNc1ccc(C(=O)Nc2ccc3c(O)cccc3c2S(=O)(=O)O)cc1
InChIInChI=1S/C17H14N2O5S/c18-11-6-4-10(5-7-11)17(21)19-14-9-8-12-13(2-1-3-15(12)20)16(14)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChIKeyVYNPKQZXUJYNJU-UHFFFAOYSA-N
XLogP2.63
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-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

4-[(4-aminobenzoyl)amino]-8-hydroxynaphthalene-1-sulfonic acid
CID 23348060
2-[[3-[[3-[(1,5-disulfonaphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,5-disulfonic acid
CID 21432863
4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
CID 18986447
4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide
CID 134359397
2-[[3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]naphthalene-1,5-disulfonic acid
CID 139667044
5-amino-2-benzamidobenzenesulfonic acid
CID 19865734
8-[[4-[4-[(4-aminobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid
CID 129275749
4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43711286
4-hydroxy-5-[[4-[[2-[4-[(8-hydroxy-5-sulfonaphthalen-1-yl)carbamoyl]anilino]-2-oxoacetyl]amino]benzoyl]amino]naphthalene-1-sulfonic acid
CID 23312722
4-(dimethylsulfamoyl)-N-(4-hydroxynaphthalen-1-yl)benzamide
CID 17460385
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid
CID 155204519

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid?
The IUPAC name of 2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid (CID 23348095) is 2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid.
What is the SMILES notation for 2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid?
The canonical SMILES for 2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid is Nc1ccc(C(=O)Nc2ccc3c(O)cccc3c2S(=O)(=O)O)cc1.
What is the InChIKey of 2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid?
The InChIKey is VYNPKQZXUJYNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c18-11-6-4-10(5-7-11)17(21)19-14-9-8-12-13(2-1-3-15(12)20)16(14)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24).
What are the key properties of 2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid?
2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid has a molecular weight of 358.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid is sourced from PubChem (CID 23348095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).