4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide

C6H5F2IN2O3S — CID 118851946

IUPAC4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nc(I)cc(C(F)F)c1O
InChIInChI=1S/C6H5F2IN2O3S/c7-5(8)2-1-3(9)11-6(4(2)12)15(10,13)14/h1,5,12H,(H2,10,13,14)
InChIKeyLIBYNEJUDQYIFI-UHFFFAOYSA-N
MW350.08 g/mol
LogP0.98
Rot. Bonds2

About 4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide

4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide (PubChem CID 118851946) has the molecular formula C6H5F2IN2O3S and a molecular weight of 350.08 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide
PubChem CID118851946
Molecular FormulaC6H5F2IN2O3S
Molecular Weight350.08 g/mol
Exact Mass349.90
IUPAC Name4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nc(I)cc(C(F)F)c1O
InChIInChI=1S/C6H5F2IN2O3S/c7-5(8)2-1-3(9)11-6(4(2)12)15(10,13)14/h1,5,12H,(H2,10,13,14)
InChIKeyLIBYNEJUDQYIFI-UHFFFAOYSA-N
XLogP0.98
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.08
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-4,6-diiodopyridine-2-sulfonamide
CID 134677678
2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
CID 118808608
4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride
CID 118829623
5-(difluoromethyl)-6-iodopyridine-2-sulfonamide
CID 130096949
4-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-sulfonamide
CID 118801223
4-(difluoromethyl)-6-iodo-2-methoxypyridin-3-ol
CID 118801396
4-(difluoromethyl)-5-iodo-6-methylpyridine-2-sulfonamide
CID 118840925
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-sulfonamide
CID 130073589
4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
CID 118806851
5-(difluoromethyl)-6-iodo-2-methylpyridin-3-ol
CID 130082529
3-(difluoromethyl)-2,6-diiodopyridine-4-sulfonamide
CID 134671949
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 130104457

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide?
The IUPAC name of 4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide (CID 118851946) is 4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide.
What is the SMILES notation for 4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide?
The canonical SMILES for 4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide is NS(=O)(=O)c1nc(I)cc(C(F)F)c1O.
What is the InChIKey of 4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide?
The InChIKey is LIBYNEJUDQYIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2IN2O3S/c7-5(8)2-1-3(9)11-6(4(2)12)15(10,13)14/h1,5,12H,(H2,10,13,14).
What are the key properties of 4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide?
4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide has a molecular weight of 350.08 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide is sourced from PubChem (CID 118851946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).