8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid

C18H16N2O5S — CID 57317566

IUPAC8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid
SMILESCc1ccc(C(=O)Nc2ccc(O)c3ccc(S(=O)(=O)O)cc23)c(N)c1
InChIInChI=1S/C18H16N2O5S/c1-10-2-4-13(15(19)8-10)18(22)20-16-6-7-17(21)12-5-3-11(9-14(12)16)26(23,24)25/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25)
InChIKeyATBFLEANBFJHQZ-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.94
Rot. Bonds3

About 8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid

8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid (PubChem CID 57317566) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid
PubChem CID57317566
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid
SMILESCc1ccc(C(=O)Nc2ccc(O)c3ccc(S(=O)(=O)O)cc23)c(N)c1
InChIInChI=1S/C18H16N2O5S/c1-10-2-4-13(15(19)8-10)18(22)20-16-6-7-17(21)12-5-3-11(9-14(12)16)26(23,24)25/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25)
InChIKeyATBFLEANBFJHQZ-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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

8-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid
CID 57243099
5-[(2-amino-5-methylbenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid
CID 57168080
5-hydroxy-8-[(5-methyl-2-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
CID 57129768
6-[(2-amino-4-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 57134662
5-[(2-amino-4-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 57187345
6-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid
CID 57028564
4-hydroxy-8-[(5-methyl-2-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
CID 57124552
4-[(4-amino-2-sulfobenzoyl)amino]naphthalene-1,6-disulfonic acid
CID 23335888
7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid
CID 57107553
5-hydroxy-8-[[4-[[4-[(4-hydroxy-7-sulfonaphthalen-1-yl)sulfamoyl]-2-methylphenyl]carbamoylamino]-3-methylphenyl]sulfonylamino]naphthalene-2-sulfonic acid
CID 88674287
2-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 80504227
N-(2-amino-5-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 112557255

Frequently Asked Questions

What is the IUPAC name of 8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of 8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid (CID 57317566) is 8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for 8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid is Cc1ccc(C(=O)Nc2ccc(O)c3ccc(S(=O)(=O)O)cc23)c(N)c1.
What is the InChIKey of 8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is ATBFLEANBFJHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-10-2-4-13(15(19)8-10)18(22)20-16-6-7-17(21)12-5-3-11(9-14(12)16)26(23,24)25/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25).
What are the key properties of 8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid?
8-[(2-amino-4-methylbenzoyl)amino]-5-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 8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 57317566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).