4-iodobenzenesulfonamide

C6H6INO2S — CID 13218

IUPAC4-iodobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C6H6INO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyKQZFABSTXSNEQH-UHFFFAOYSA-N
MW283.09 g/mol
LogP0.94
Rot. Bonds1

About 4-iodobenzenesulfonamide

4-iodobenzenesulfonamide (PubChem CID 13218) has the molecular formula C6H6INO2S and a molecular weight of 283.09 g/mol. Its IUPAC name is 4-iodobenzenesulfonamide.

Molecular Properties

Compound Name4-iodobenzenesulfonamide
PubChem CID13218
Molecular FormulaC6H6INO2S
Molecular Weight283.09 g/mol
Exact Mass282.92
IUPAC Name4-iodobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C6H6INO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyKQZFABSTXSNEQH-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodobenzenesulfonamide?
The IUPAC name of 4-iodobenzenesulfonamide (CID 13218) is 4-iodobenzenesulfonamide.
What is the SMILES notation for 4-iodobenzenesulfonamide?
The canonical SMILES for 4-iodobenzenesulfonamide is NS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodobenzenesulfonamide?
The InChIKey is KQZFABSTXSNEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10).
What are the key properties of 4-iodobenzenesulfonamide?
4-iodobenzenesulfonamide has a molecular weight of 283.09 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobenzenesulfonamide is sourced from PubChem (CID 13218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).