5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid

C17H14N2O5S — CID 23348123

IUPAC5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
SMILESNc1cccc(C(=O)Nc2cccc3cc(S(=O)(=O)O)cc(O)c23)c1
InChIInChI=1S/C17H14N2O5S/c18-12-5-1-4-11(7-12)17(21)19-14-6-2-3-10-8-13(25(22,23)24)9-15(20)16(10)14/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChIKeyBUUIMJDJQXDNRD-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.63
Rot. Bonds3

About 5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid

5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid (PubChem CID 23348123) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
PubChem CID23348123
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
SMILESNc1cccc(C(=O)Nc2cccc3cc(S(=O)(=O)O)cc(O)c23)c1
InChIInChI=1S/C17H14N2O5S/c18-12-5-1-4-11(7-12)17(21)19-14-6-2-3-10-8-13(25(22,23)24)9-15(20)16(10)14/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChIKeyBUUIMJDJQXDNRD-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 5-[(3-aminobenzoyl)amino]-4-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

4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid
CID 3018000
4-hydroxy-5-[[4-[4-[(8-hydroxynaphthalen-1-yl)carbamoyl]phenyl]benzoyl]amino]naphthalene-2-sulfonic acid
CID 170524161
8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid
CID 23348122
5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid
CID 18965669
4-[(3-aminobenzoyl)amino]-7-hydroxynaphthalene-2-sulfonic acid
CID 23348088
5-[(2-amino-4-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 57187345
3-amino-5-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)carbamoyl]benzoic acid
CID 23335900
4-hydroxy-5-[[3-[[3-[[3-[[3-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-2,7-disulfonic acid
CID 89248690
4-hydroxy-5-[[3-[[3-[[3-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-2,7-disulfonic acid
CID 89248693
1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid
CID 23348086
4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid
CID 71330282
4-hydroxy-5-[(2-hydroxybenzoyl)amino]naphthalene-2,7-disulfonic acid
CID 102295742

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of 5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid (CID 23348123) is 5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for 5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid is Nc1cccc(C(=O)Nc2cccc3cc(S(=O)(=O)O)cc(O)c23)c1.
What is the InChIKey of 5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is BUUIMJDJQXDNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c18-12-5-1-4-11(7-12)17(21)19-14-6-2-3-10-8-13(25(22,23)24)9-15(20)16(10)14/h1-9,20H,18H2,(H,19,21)(H,22,23,24).
What are the key properties of 5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid?
5-[(3-aminobenzoyl)amino]-4-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 5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 23348123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).