4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide

C6H5F2IN2O3S — CID 118818505

IUPAC4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1[nH]c(=O)cc(C(F)F)c1I
InChIInChI=1S/C6H5F2IN2O3S/c7-5(8)2-1-3(12)11-6(4(2)9)15(10,13)14/h1,5H,(H,11,12)(H2,10,13,14)
InChIKeyVNZWANOIBXAARQ-UHFFFAOYSA-N
MW350.08 g/mol
LogP0.56
Rot. Bonds2

About 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide

4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide (PubChem CID 118818505) has the molecular formula C6H5F2IN2O3S and a molecular weight of 350.08 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide
PubChem CID118818505
Molecular FormulaC6H5F2IN2O3S
Molecular Weight350.08 g/mol
Exact Mass349.90
IUPAC Name4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1[nH]c(=O)cc(C(F)F)c1I
InChIInChI=1S/C6H5F2IN2O3S/c7-5(8)2-1-3(12)11-6(4(2)9)15(10,13)14/h1,5H,(H,11,12)(H2,10,13,14)
InChIKeyVNZWANOIBXAARQ-UHFFFAOYSA-N
XLogP0.56
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.08
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide?
The IUPAC name of 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide (CID 118818505) is 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide.
What is the SMILES notation for 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide?
The canonical SMILES for 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide is NS(=O)(=O)c1[nH]c(=O)cc(C(F)F)c1I.
What is the InChIKey of 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide?
The InChIKey is VNZWANOIBXAARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2IN2O3S/c7-5(8)2-1-3(12)11-6(4(2)9)15(10,13)14/h1,5H,(H,11,12)(H2,10,13,14).
What are the key properties of 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide?
4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide has a molecular weight of 350.08 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide is sourced from PubChem (CID 118818505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).