7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid

C18H16N2O5S — CID 57297081

IUPAC7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid
SMILESCc1ccc(N)c(C(=O)Nc2cc(O)c3cccc(S(=O)(=O)O)c3c2)c1
InChIInChI=1S/C18H16N2O5S/c1-10-5-6-15(19)14(7-10)18(22)20-11-8-13-12(16(21)9-11)3-2-4-17(13)26(23,24)25/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25)
InChIKeyXJMHVEBYTHXLJM-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.94
Rot. Bonds3

About 7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid

7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid (PubChem CID 57297081) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid
PubChem CID57297081
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid
SMILESCc1ccc(N)c(C(=O)Nc2cc(O)c3cccc(S(=O)(=O)O)c3c2)c1
InChIInChI=1S/C18H16N2O5S/c1-10-5-6-15(19)14(7-10)18(22)20-11-8-13-12(16(21)9-11)3-2-4-17(13)26(23,24)25/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25)
InChIKeyXJMHVEBYTHXLJM-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'}

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Related Compounds

7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid
CID 57107553
7-[(2-amino-5-methylbenzoyl)amino]-8-hydroxynaphthalene-1-sulfonic acid
CID 57256664
3-[(2-amino-5-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 57231614
6-[(2-amino-4-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 57134662
2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
8-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid
CID 57243099
3-[[4-[(4,8-disulfonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,5-disulfonic acid
CID 21053518
5-[(2-amino-5-methylbenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid
CID 57168080
2-amino-N-(2,6-dimethylphenyl)-5-methylbenzamide
CID 55083036
6-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid
CID 57028564
2-amino-N-(3-methoxyphenyl)-5-methylbenzamide
CID 55069541
4-hydroxy-1-[(4-methyl-2-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
CID 57063865

Frequently Asked Questions

What is the IUPAC name of 7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid?
The IUPAC name of 7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid (CID 57297081) is 7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid.
What is the SMILES notation for 7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid?
The canonical SMILES for 7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid is Cc1ccc(N)c(C(=O)Nc2cc(O)c3cccc(S(=O)(=O)O)c3c2)c1.
What is the InChIKey of 7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid?
The InChIKey is XJMHVEBYTHXLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-10-5-6-15(19)14(7-10)18(22)20-11-8-13-12(16(21)9-11)3-2-4-17(13)26(23,24)25/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25).
What are the key properties of 7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid?
7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-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 7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid is sourced from PubChem (CID 57297081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).