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

C17H14N2O5S — CID 23348122

IUPAC8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid
SMILESNc1cccc(C(=O)Nc2cccc3cc(O)cc(S(=O)(=O)O)c23)c1
InChIInChI=1S/C17H14N2O5S/c18-12-5-1-4-11(7-12)17(21)19-14-6-2-3-10-8-13(20)9-15(16(10)14)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChIKeyPEYSUGZUATXRKY-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.63
Rot. Bonds3

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

8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid (PubChem CID 23348122) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid
PubChem CID23348122
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid
SMILESNc1cccc(C(=O)Nc2cccc3cc(O)cc(S(=O)(=O)O)c23)c1
InChIInChI=1S/C17H14N2O5S/c18-12-5-1-4-11(7-12)17(21)19-14-6-2-3-10-8-13(20)9-15(16(10)14)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChIKeyPEYSUGZUATXRKY-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'}

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Related Compounds

5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 23348123
1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid
CID 23348086
4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid
CID 3018000
4-[(3-aminobenzoyl)amino]-7-hydroxynaphthalene-2-sulfonic acid
CID 23348088
8-[(3-amino-4-methylbenzoyl)amino]naphthalene-1-sulfonic acid
CID 118717106
6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid
CID 23348211
8-[[4-[4-[(4-aminobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid
CID 129275749
5-[(3-aminobenzoyl)amino]-2-hydroxy-3-sulfobenzoic acid
CID 53424613
5-amino-2-benzamidobenzenesulfonic acid
CID 19865734
1-hydroxy-8-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
CID 23348426
8-[[6-[(3-aminobenzoyl)amino]-2-methylquinolin-4-yl]amino]naphthalene-1,3,6-trisulfonic acid
CID 121464459
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687

Frequently Asked Questions

What is the IUPAC name of 8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid?
The IUPAC name of 8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid (CID 23348122) is 8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid.
What is the SMILES notation for 8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid?
The canonical SMILES for 8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid is Nc1cccc(C(=O)Nc2cccc3cc(O)cc(S(=O)(=O)O)c23)c1.
What is the InChIKey of 8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid?
The InChIKey is PEYSUGZUATXRKY-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(20)9-15(16(10)14)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24).
What are the key properties of 8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid?
8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-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 8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid is sourced from PubChem (CID 23348122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).