6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid

C18H16N2O5S — CID 23348118

IUPAC6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid
SMILESCc1cc(C(=O)Nc2ccc3c(O)c(S(=O)(=O)O)ccc3c2)ccc1N
InChIInChI=1S/C18H16N2O5S/c1-10-8-12(2-6-15(10)19)18(22)20-13-4-5-14-11(9-13)3-7-16(17(14)21)26(23,24)25/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25)
InChIKeyJYVWDUMQKDOXTL-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.94
Rot. Bonds3

About 6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid

6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid (PubChem CID 23348118) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid
PubChem CID23348118
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid
SMILESCc1cc(C(=O)Nc2ccc3c(O)c(S(=O)(=O)O)ccc3c2)ccc1N
InChIInChI=1S/C18H16N2O5S/c1-10-8-12(2-6-15(10)19)18(22)20-13-4-5-14-11(9-13)3-7-16(17(14)21)26(23,24)25/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25)
InChIKeyJYVWDUMQKDOXTL-UHFFFAOYSA-N
XLogP2.94
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.94
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 6-[(4-amino-3-methylbenzoyl)amino]-1-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

6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid
CID 23348211
1-hydroxy-6-[(4-methyl-2-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
CID 57212440
5-[(4-acetylbenzoyl)amino]-2-aminobenzenesulfonic acid
CID 118861935
4-amino-N-(3-hydroxyphenyl)-3-methylbenzamide
CID 61167676
3-[(3-amino-4-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 23348115
7-[(4-aminobenzoyl)amino]-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 143799559
5-[(3-amino-4-methylbenzoyl)amino]-6-hydroxynaphthalene-2-sulfonic acid
CID 23348120
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
sodium 7-[[4-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-2-methylphenyl]diazenyl]-4-hydroxy-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
CID 135422260
1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide
CID 139753091
CID 170845603
CID 170845603
7-hydroxy-3-[(3-methyl-4-nitrobenzoyl)amino]naphthalene-1-sulfonic acid
CID 23348240

Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of 6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid (CID 23348118) is 6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for 6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid is Cc1cc(C(=O)Nc2ccc3c(O)c(S(=O)(=O)O)ccc3c2)ccc1N.
What is the InChIKey of 6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is JYVWDUMQKDOXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-10-8-12(2-6-15(10)19)18(22)20-13-4-5-14-11(9-13)3-7-16(17(14)21)26(23,24)25/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25).
What are the key properties of 6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid?
6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid has a molecular weight of 372.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 23348118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).