1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid

C17H14N2O5S — CID 23348086

IUPAC1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid
SMILESNc1cccc(C(=O)Nc2c(S(=O)(=O)O)ccc3cccc(O)c23)c1
InChIInChI=1S/C17H14N2O5S/c18-12-5-1-4-11(9-12)17(21)19-16-14(25(22,23)24)8-7-10-3-2-6-13(20)15(10)16/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChIKeyHHGWDDGTFWJHCC-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.63
Rot. Bonds3

About 1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid

1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid (PubChem CID 23348086) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid
PubChem CID23348086
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid
SMILESNc1cccc(C(=O)Nc2c(S(=O)(=O)O)ccc3cccc(O)c23)c1
InChIInChI=1S/C17H14N2O5S/c18-12-5-1-4-11(9-12)17(21)19-16-14(25(22,23)24)8-7-10-3-2-6-13(20)15(10)16/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChIKeyHHGWDDGTFWJHCC-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 1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-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-1-[[4-[[2-[4-[(8-hydroxy-2-sulfonaphthalen-1-yl)carbamoyl]-2-methylanilino]-2-oxoacetyl]amino]-3-methylbenzoyl]amino]naphthalene-2-sulfonic acid
CID 88689460
6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid
CID 23348211
8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid
CID 23348122
5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 23348123
4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid
CID 3018000
5-[(3-aminobenzoyl)amino]-2-hydroxy-3-sulfobenzoic acid
CID 53424613
4-[(3-aminobenzoyl)amino]-7-hydroxynaphthalene-2-sulfonic acid
CID 23348088
4-[(4-aminobenzoyl)amino]-8-hydroxynaphthalene-1-sulfonic acid
CID 23348060
8-hydroxy-1-[[5-[[3-[(8-hydroxy-2-sulfonaphthalen-1-yl)sulfamoyl]-4-methylphenyl]carbamoylamino]-2-methylphenyl]sulfonylamino]naphthalene-2-sulfonic acid
CID 88674188
1-hydroxy-8-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
CID 23348426
4-hydroxy-3-[[3-[[2-[3-[(1-hydroxy-3-sulfonaphthalen-2-yl)carbamoyl]anilino]-2-oxoacetyl]amino]benzoyl]amino]naphthalene-2-sulfonic acid
CID 23312848
8-[(3-amino-4-methylbenzoyl)amino]naphthalene-1-sulfonic acid
CID 118717106

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of 1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid (CID 23348086) is 1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for 1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid is Nc1cccc(C(=O)Nc2c(S(=O)(=O)O)ccc3cccc(O)c23)c1.
What is the InChIKey of 1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is HHGWDDGTFWJHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c18-12-5-1-4-11(9-12)17(21)19-16-14(25(22,23)24)8-7-10-3-2-6-13(20)15(10)16/h1-9,20H,18H2,(H,19,21)(H,22,23,24).
What are the key properties of 1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid?
1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-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 1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 23348086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).