3-iodobenzenesulfonamide

C6H6INO2S — CID 11219806

IUPAC3-iodobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(I)c1
InChIInChI=1S/C6H6INO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyVDQBCIQHOXPLFI-UHFFFAOYSA-N
MW283.09 g/mol
LogP0.94
Rot. Bonds1

About 3-iodobenzenesulfonamide

3-iodobenzenesulfonamide (PubChem CID 11219806) has the molecular formula C6H6INO2S and a molecular weight of 283.09 g/mol. Its IUPAC name is 3-iodobenzenesulfonamide.

Molecular Properties

Compound Name3-iodobenzenesulfonamide
PubChem CID11219806
Molecular FormulaC6H6INO2S
Molecular Weight283.09 g/mol
Exact Mass282.92
IUPAC Name3-iodobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(I)c1
InChIInChI=1S/C6H6INO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyVDQBCIQHOXPLFI-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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Related Compounds

benzene-1,3-disulfonamide
CID 3090044
silver 3-iodobenzenesulfonate
CID 139842142
3-iodobenzenesulfonohydrazide
CID 171366770
aluminum tris(3-iodobenzenesulfonate)
CID 22604124
strontium bis(3-iodobenzenesulfonate)
CID 139842237
3-methylbenzenesulfonamide
CID 69347063
3-methylsulfonylbenzenesulfonamide;hydrochloride
CID 172691071
potassium 3-chlorobenzenesulfonamide
CID 19353487
1-benzylsulfonyl-3-iodobenzene
CID 145226686
3-(hydroxymethyl)benzenesulfonamide
CID 23133799
3-methoxybenzenesulfonamide
CID 14763060
3-[(3-sulfamoylphenyl)iminomethylideneamino]benzenesulfonamide
CID 163451319

Frequently Asked Questions

What is the IUPAC name of 3-iodobenzenesulfonamide?
The IUPAC name of 3-iodobenzenesulfonamide (CID 11219806) is 3-iodobenzenesulfonamide.
What is the SMILES notation for 3-iodobenzenesulfonamide?
The canonical SMILES for 3-iodobenzenesulfonamide is NS(=O)(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodobenzenesulfonamide?
The InChIKey is VDQBCIQHOXPLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10).
What are the key properties of 3-iodobenzenesulfonamide?
3-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 3-iodobenzenesulfonamide is sourced from PubChem (CID 11219806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).