4-amino-3,5-diiodobenzenesulfonic acid

C6H5I2NO3S — CID 46707047

IUPAC4-amino-3,5-diiodobenzenesulfonic acid
SMILESNc1c(I)cc(S(=O)(=O)O)cc1I
InChIInChI=1S/C6H5I2NO3S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H,10,11,12)
InChIKeyWBRHQKUCNQUNIK-UHFFFAOYSA-N
MW424.99 g/mol
LogP1.72
Rot. Bonds1

About 4-amino-3,5-diiodobenzenesulfonic acid

4-amino-3,5-diiodobenzenesulfonic acid (PubChem CID 46707047) has the molecular formula C6H5I2NO3S and a molecular weight of 424.99 g/mol. Its IUPAC name is 4-amino-3,5-diiodobenzenesulfonic acid.

Molecular Properties

Compound Name4-amino-3,5-diiodobenzenesulfonic acid
PubChem CID46707047
Molecular FormulaC6H5I2NO3S
Molecular Weight424.99 g/mol
Exact Mass424.81
IUPAC Name4-amino-3,5-diiodobenzenesulfonic acid
SMILESNc1c(I)cc(S(=O)(=O)O)cc1I
InChIInChI=1S/C6H5I2NO3S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H,10,11,12)
InChIKeyWBRHQKUCNQUNIK-UHFFFAOYSA-N
XLogP1.72
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.99
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc
CID 170842937
sodium 4-hydroxy-3,5-diiodobenzenesulfonic acid
CID 54605355
CID 159296954
CID 159296954
CID 131877005
CID 131877005
4-amino-3,5-dinitrobenzenesulfonic acid
CID 3562834
sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride
CID 173102273
4-amino-3,5-dimethoxybenzenesulfonic acid
CID 139685863
3-amino-5-hydroxybenzenesulfonic acid
CID 19969116
3,5-diamino-4-hydroxysulfanylbenzenesulfonic acid
CID 59668424
2-amino-3-sulfanyl-5-sulfobenzoic acid
CID 139919559
3-amino-5-(3-amino-2-methyl-5-sulfophenyl)-4-methylbenzenesulfonic acid
CID 139977765
3-amino-5-chloro-4-hydroxybenzenesulfonic acid
CID 22133

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-diiodobenzenesulfonic acid?
The IUPAC name of 4-amino-3,5-diiodobenzenesulfonic acid (CID 46707047) is 4-amino-3,5-diiodobenzenesulfonic acid.
What is the SMILES notation for 4-amino-3,5-diiodobenzenesulfonic acid?
The canonical SMILES for 4-amino-3,5-diiodobenzenesulfonic acid is Nc1c(I)cc(S(=O)(=O)O)cc1I.
What is the InChIKey of 4-amino-3,5-diiodobenzenesulfonic acid?
The InChIKey is WBRHQKUCNQUNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I2NO3S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H,10,11,12).
What are the key properties of 4-amino-3,5-diiodobenzenesulfonic acid?
4-amino-3,5-diiodobenzenesulfonic acid has a molecular weight of 424.99 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-diiodobenzenesulfonic acid is sourced from PubChem (CID 46707047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).