4-aminobenzenesulfonic acid;copper

C6H7CuNO3S — CID 174792931

IUPAC4-aminobenzenesulfonic acid;copper
SMILESNc1ccc(S(=O)(=O)O)cc1.[Cu]
InChIInChI=1S/C6H7NO3S.Cu/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);
InChIKeyYETDGTHIJPLZQT-UHFFFAOYSA-N
MW236.74 g/mol
LogP0.51
Rot. Bonds1

About 4-aminobenzenesulfonic acid;copper

4-aminobenzenesulfonic acid;copper (PubChem CID 174792931) has the molecular formula C6H7CuNO3S and a molecular weight of 236.74 g/mol. Its IUPAC name is 4-aminobenzenesulfonic acid;copper.

Molecular Properties

Compound Name4-aminobenzenesulfonic acid;copper
PubChem CID174792931
Molecular FormulaC6H7CuNO3S
Molecular Weight236.74 g/mol
Exact Mass235.94
IUPAC Name4-aminobenzenesulfonic acid;copper
SMILESNc1ccc(S(=O)(=O)O)cc1.[Cu]
InChIInChI=1S/C6H7NO3S.Cu/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);
InChIKeyYETDGTHIJPLZQT-UHFFFAOYSA-N
XLogP0.51
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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CID 163532590
4-aminobenzenesulfonic acid;hydroxy(oxo)titanium
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4-aminobenzenesulfonic acid;2-methylphenol
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4-[2,4-diamino-5-(4-aminoanilino)anilino]benzenesulfonic acid
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CID 87753732
CID 87753732
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4-[2,5-diamino-3,4,6-tris(4-sulfophenyl)phenyl]benzenesulfonic acid
CID 123260727
4-aminobenzenesulfonic acid;2-aminoterephthalic acid
CID 175797822
4-(4-sulfophenyl)benzenesulfonic acid;dihydrochloride
CID 88734804
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
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sodium 4-(4-sulfophenyl)benzenesulfonic acid
CID 3084525

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenesulfonic acid;copper?
The IUPAC name of 4-aminobenzenesulfonic acid;copper (CID 174792931) is 4-aminobenzenesulfonic acid;copper.
What is the SMILES notation for 4-aminobenzenesulfonic acid;copper?
The canonical SMILES for 4-aminobenzenesulfonic acid;copper is Nc1ccc(S(=O)(=O)O)cc1.[Cu].
What is the InChIKey of 4-aminobenzenesulfonic acid;copper?
The InChIKey is YETDGTHIJPLZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S.Cu/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);.
What are the key properties of 4-aminobenzenesulfonic acid;copper?
4-aminobenzenesulfonic acid;copper has a molecular weight of 236.74 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenesulfonic acid;copper is sourced from PubChem (CID 174792931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).