4-amino-3,5-diiodobenzenesulfonamide

C6H6I2N2O2S — CID 23645684

IUPAC4-amino-3,5-diiodobenzenesulfonamide
SMILESNc1c(I)cc(S(N)(=O)=O)cc1I
InChIInChI=1S/C6H6I2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
InChIKeyBYEIAMGUAPMMHK-UHFFFAOYSA-N
MW424.00 g/mol
LogP1.13
Rot. Bonds1

About 4-amino-3,5-diiodobenzenesulfonamide

4-amino-3,5-diiodobenzenesulfonamide (PubChem CID 23645684) has the molecular formula C6H6I2N2O2S and a molecular weight of 424.00 g/mol. Its IUPAC name is 4-amino-3,5-diiodobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3,5-diiodobenzenesulfonamide
PubChem CID23645684
Molecular FormulaC6H6I2N2O2S
Molecular Weight424.00 g/mol
Exact Mass423.82
IUPAC Name4-amino-3,5-diiodobenzenesulfonamide
SMILESNc1c(I)cc(S(N)(=O)=O)cc1I
InChIInChI=1S/C6H6I2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
InChIKeyBYEIAMGUAPMMHK-UHFFFAOYSA-N
XLogP1.13
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.00
LogP ≤ 51.13
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'}

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Related Compounds

Sulfanilamide
CID 5333
Sulfacarbamide
CID 11033
Sulfaguanidine
CID 5324
Sodium sulfanilate
CID 23664644
Sulfathiourea
CID 3000579
Sulfabenz
CID 31390
4-Isothiocyanatobenzenesulfonamide
CID 521359
4-Azidobenzenesulfonamide
CID 3558590
4-amino-N-methylbenzene-1-sulfonamide
CID 74368
4-Amino-3-fluorobenzene-1-sulfonamide
CID 4687472
4-Iodosulfanilanilide
CID 247908
p-Diazobenzenesulfonic acid
CID 67539

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-diiodobenzenesulfonamide?
The IUPAC name of 4-amino-3,5-diiodobenzenesulfonamide (CID 23645684) is 4-amino-3,5-diiodobenzenesulfonamide.
What is the SMILES notation for 4-amino-3,5-diiodobenzenesulfonamide?
The canonical SMILES for 4-amino-3,5-diiodobenzenesulfonamide is Nc1c(I)cc(S(N)(=O)=O)cc1I.
What is the InChIKey of 4-amino-3,5-diiodobenzenesulfonamide?
The InChIKey is BYEIAMGUAPMMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6I2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12).
What are the key properties of 4-amino-3,5-diiodobenzenesulfonamide?
4-amino-3,5-diiodobenzenesulfonamide has a molecular weight of 424.00 g/mol, XLogP of 1.13, 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-diiodobenzenesulfonamide is sourced from PubChem (CID 23645684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).