5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid

C17H15N3O4S — CID 148930754

IUPAC5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
SMILESCOc1cc(/N=N/c2cccc3c(S(=O)(=O)O)cccc23)ccc1N
InChIInChI=1S/C17H15N3O4S/c1-24-16-10-11(8-9-14(16)18)19-20-15-6-2-5-13-12(15)4-3-7-17(13)25(21,22)23/h2-10H,18H2,1H3,(H,21,22,23)/b20-19+
InChIKeyPLXAFTYXKMFTMV-FMQUCBEESA-N
MW357.39 g/mol
LogP4.09
Rot. Bonds4

About 5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid

5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid (PubChem CID 148930754) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
PubChem CID148930754
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
SMILESCOc1cc(/N=N/c2cccc3c(S(=O)(=O)O)cccc23)ccc1N
InChIInChI=1S/C17H15N3O4S/c1-24-16-10-11(8-9-14(16)18)19-20-15-6-2-5-13-12(15)4-3-7-17(13)25(21,22)23/h2-10H,18H2,1H3,(H,21,22,23)/b20-19+
InChIKeyPLXAFTYXKMFTMV-FMQUCBEESA-N
XLogP4.09
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 5-hydroxy-6-[[2-methoxy-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 135422209
5-[(2,4-diaminophenyl)diazenyl]naphthalene-1-sulfonic acid
CID 165363379
6-amino-4-hydroxy-3-[[4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonic acid
CID 136646692
3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 136714819
5-amino-8-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 88888450
7-[[4-[[4-[[4-[[6-[(3-amino-4-methoxyphenyl)diazenyl]-1-hydroxynaphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid
CID 137280003
4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
CID 22137
8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide
CID 158523650
6-amino-5-[(4-ethylsulfonylphenyl)diazenyl]naphthalene-1-sulfonic acid
CID 59012389
3-amino-5-hydroxy-6-[[4-[[4-[(2-methoxy-4-phenyldiazenylphenyl)diazenyl]-3-methylphenyl]diazenyl]-3-methylphenyl]diazenyl]naphthalene-2-sulfonic acid
CID 136606721
8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 162697049
8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
CID 148653145

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid?
The IUPAC name of 5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid (CID 148930754) is 5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid.
What is the SMILES notation for 5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid?
The canonical SMILES for 5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid is COc1cc(/N=N/c2cccc3c(S(=O)(=O)O)cccc23)ccc1N.
What is the InChIKey of 5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid?
The InChIKey is PLXAFTYXKMFTMV-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-24-16-10-11(8-9-14(16)18)19-20-15-6-2-5-13-12(15)4-3-7-17(13)25(21,22)23/h2-10H,18H2,1H3,(H,21,22,23)/b20-19+.
What are the key properties of 5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid?
5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid has a molecular weight of 357.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid is sourced from PubChem (CID 148930754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).