4-sulfamoylbenzoyl iodide

C7H6INO3S — CID 88945846

IUPAC4-sulfamoylbenzoyl iodide
SMILESNS(=O)(=O)c1ccc(C(=O)I)cc1
InChIInChI=1S/C7H6INO3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H,(H2,9,11,12)
InChIKeyFGRHGOYBCNBLFR-UHFFFAOYSA-N
MW311.10 g/mol
LogP0.91
Rot. Bonds2

About 4-sulfamoylbenzoyl iodide

4-sulfamoylbenzoyl iodide (PubChem CID 88945846) has the molecular formula C7H6INO3S and a molecular weight of 311.10 g/mol. Its IUPAC name is 4-sulfamoylbenzoyl iodide.

Molecular Properties

Compound Name4-sulfamoylbenzoyl iodide
PubChem CID88945846
Molecular FormulaC7H6INO3S
Molecular Weight311.10 g/mol
Exact Mass310.91
IUPAC Name4-sulfamoylbenzoyl iodide
SMILESNS(=O)(=O)c1ccc(C(=O)I)cc1
InChIInChI=1S/C7H6INO3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H,(H2,9,11,12)
InChIKeyFGRHGOYBCNBLFR-UHFFFAOYSA-N
XLogP0.91
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 4-sulfamoylbenzoate
CID 23684074
4-benzoylbenzenesulfonamide
CID 70209200
4-propanoylbenzenesulfonamide
CID 70209431
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098
4-(pyridine-4-carbonyl)benzenesulfonamide
CID 23274879
4-(2-cyanoacetyl)benzenesulfonamide
CID 91621751
methyl 4-(4-sulfamoylphenyl)benzoate
CID 122194771
N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-(hydrazinecarbonyl)-4-sulfamoylbenzamide
CID 91621577
4-(2,2-dimethylpropanoyl)benzenesulfonamide;4-sulfamoylbenzoic acid
CID 159148470
4-acetylbenzenesulfonamide;2-oxo-2-(4-sulfamoylphenyl)acetic acid
CID 161079188

Frequently Asked Questions

What is the IUPAC name of 4-sulfamoylbenzoyl iodide?
The IUPAC name of 4-sulfamoylbenzoyl iodide (CID 88945846) is 4-sulfamoylbenzoyl iodide.
What is the SMILES notation for 4-sulfamoylbenzoyl iodide?
The canonical SMILES for 4-sulfamoylbenzoyl iodide is NS(=O)(=O)c1ccc(C(=O)I)cc1.
What is the InChIKey of 4-sulfamoylbenzoyl iodide?
The InChIKey is FGRHGOYBCNBLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H,(H2,9,11,12).
What are the key properties of 4-sulfamoylbenzoyl iodide?
4-sulfamoylbenzoyl iodide has a molecular weight of 311.10 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoylbenzoyl iodide is sourced from PubChem (CID 88945846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).