2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid

C15H15N3O5S — CID 135764710

IUPAC2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid
SMILESCC(=O)Nc1ccc(/N=N/c2cc(C)ccc2O)cc1S(=O)(=O)O
InChIInChI=1S/C15H15N3O5S/c1-9-3-6-14(20)13(7-9)18-17-11-4-5-12(16-10(2)19)15(8-11)24(21,22)23/h3-8,20H,1-2H3,(H,16,19)(H,21,22,23)/b18-17+
InChIKeyHKDAKOMATLVPQY-ISLYRVAYSA-N
MW349.37 g/mol
LogP3.32
Rot. Bonds4

About 2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid

2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid (PubChem CID 135764710) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid
PubChem CID135764710
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid
SMILESCC(=O)Nc1ccc(/N=N/c2cc(C)ccc2O)cc1S(=O)(=O)O
InChIInChI=1S/C15H15N3O5S/c1-9-3-6-14(20)13(7-9)18-17-11-4-5-12(16-10(2)19)15(8-11)24(21,22)23/h3-8,20H,1-2H3,(H,16,19)(H,21,22,23)/b18-17+
InChIKeyHKDAKOMATLVPQY-ISLYRVAYSA-N
XLogP3.32
TPSA128.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone
CID 3514586
2-[[(4-acetamido-3-sulfophenyl)diazenyl]-methylamino]acetic acid
CID 58864733
2-[(2-chloroacetyl)amino]-5-[[4-[(2-chloroacetyl)amino]-3-sulfophenyl]diazenyl]benzenesulfonic acid
CID 71403677
2-[(2-sulfanylacetyl)amino]-5-[[4-[(2-sulfanylacetyl)amino]-3-sulfophenyl]diazenyl]benzenesulfonic acid
CID 56940697
2-[[2-acetamido-4-(methylamino)phenyl]diazenyl]-5-methylbenzenesulfonic acid
CID 58112450
2-[[4-[(4-hydroxy-3-methylphenyl)diazenyl]phenyl]methylamino]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 143586589
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
2-[(3,5-dimethylphenyl)diazenyl]-4-methylphenol
CID 3520182
benzene;2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
CID 160570750
N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849
4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid
CID 136679545
[2-[4-[(2-hydroxy-5-methylphenyl)diazenyl]anilino]-2-oxoethyl]-trimethylazanium
CID 136707795

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid?
The IUPAC name of 2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid (CID 135764710) is 2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid.
What is the SMILES notation for 2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid?
The canonical SMILES for 2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid is CC(=O)Nc1ccc(/N=N/c2cc(C)ccc2O)cc1S(=O)(=O)O.
What is the InChIKey of 2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid?
The InChIKey is HKDAKOMATLVPQY-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-9-3-6-14(20)13(7-9)18-17-11-4-5-12(16-10(2)19)15(8-11)24(21,22)23/h3-8,20H,1-2H3,(H,16,19)(H,21,22,23)/b18-17+.
What are the key properties of 2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid?
2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid has a molecular weight of 349.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid is sourced from PubChem (CID 135764710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).