4-fluoro-2-iodobenzenesulfonamide

C6H5FINO2S — CID 112729762

IUPAC4-fluoro-2-iodobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1I
InChIInChI=1S/C6H5FINO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyQNAAITINEQBBDF-UHFFFAOYSA-N
MW301.08 g/mol
LogP1.08
Rot. Bonds1

About 4-fluoro-2-iodobenzenesulfonamide

4-fluoro-2-iodobenzenesulfonamide (PubChem CID 112729762) has the molecular formula C6H5FINO2S and a molecular weight of 301.08 g/mol. Its IUPAC name is 4-fluoro-2-iodobenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-iodobenzenesulfonamide
PubChem CID112729762
Molecular FormulaC6H5FINO2S
Molecular Weight301.08 g/mol
Exact Mass300.91
IUPAC Name4-fluoro-2-iodobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1I
InChIInChI=1S/C6H5FINO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyQNAAITINEQBBDF-UHFFFAOYSA-N
XLogP1.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 51.08
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

4-chloro-2-iodobenzenesulfonamide
CID 2824891
2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide
CID 115992857
2-(5-fluoro-2-sulfamoylphenyl)acetic acid
CID 141356629
N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide
CID 61130930
4-fluoro-2-(methoxymethyl)benzenesulfonamide
CID 83271454
2-(bromomethyl)-5-fluorobenzenesulfonamide
CID 21069830
2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide
CID 61132903
3-amino-5-(4-fluoro-2-iodoanilino)benzenesulfonamide
CID 79769202
N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
CID 79767137
5-fluoro-2-methylsulfonylaniline
CID 22567345
2,4-difluorobenzenesulfonyl fluoride
CID 10867234
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodobenzenesulfonamide?
The IUPAC name of 4-fluoro-2-iodobenzenesulfonamide (CID 112729762) is 4-fluoro-2-iodobenzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-iodobenzenesulfonamide?
The canonical SMILES for 4-fluoro-2-iodobenzenesulfonamide is NS(=O)(=O)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodobenzenesulfonamide?
The InChIKey is QNAAITINEQBBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FINO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of 4-fluoro-2-iodobenzenesulfonamide?
4-fluoro-2-iodobenzenesulfonamide has a molecular weight of 301.08 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodobenzenesulfonamide is sourced from PubChem (CID 112729762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).