3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide

C6H4F2I2N2O2S — CID 134677678

IUPAC3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nc(I)cc(I)c1C(F)F
InChIInChI=1S/C6H4F2I2N2O2S/c7-5(8)4-2(9)1-3(10)12-6(4)15(11,13)14/h1,5H,(H2,11,13,14)
InChIKeyWGEGBSYDGFWITI-UHFFFAOYSA-N
MW459.98 g/mol
LogP1.88
Rot. Bonds2

About 3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide

3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide (PubChem CID 134677678) has the molecular formula C6H4F2I2N2O2S and a molecular weight of 459.98 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
PubChem CID134677678
Molecular FormulaC6H4F2I2N2O2S
Molecular Weight459.98 g/mol
Exact Mass459.81
IUPAC Name3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nc(I)cc(I)c1C(F)F
InChIInChI=1S/C6H4F2I2N2O2S/c7-5(8)4-2(9)1-3(10)12-6(4)15(11,13)14/h1,5H,(H2,11,13,14)
InChIKeyWGEGBSYDGFWITI-UHFFFAOYSA-N
XLogP1.88
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide
CID 130085864
4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide
CID 118851946
3-(difluoromethyl)-2,6-diiodopyridine-4-sulfonamide
CID 134671949
6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide
CID 119025115
3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine
CID 130100478
6-amino-4-bromo-3-(difluoromethyl)pyridine-2-sulfonamide
CID 130102335
2-bromo-3-(difluoromethyl)-4,6-diiodopyridine
CID 130100418
4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118812167
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-sulfonamide
CID 130073589
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide
CID 130069630
6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
CID 130068552
3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide
CID 133098938

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide (CID 134677678) is 3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide is NS(=O)(=O)c1nc(I)cc(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide?
The InChIKey is WGEGBSYDGFWITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2I2N2O2S/c7-5(8)4-2(9)1-3(10)12-6(4)15(11,13)14/h1,5H,(H2,11,13,14).
What are the key properties of 3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide?
3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide has a molecular weight of 459.98 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide is sourced from PubChem (CID 134677678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).