5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide

C7H7F2IN2O2S — CID 130086457

IUPAC5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide
SMILESCc1nc(I)c(S(N)(=O)=O)cc1C(F)F
InChIInChI=1S/C7H7F2IN2O2S/c1-3-4(6(8)9)2-5(7(10)12-3)15(11,13)14/h2,6H,1H3,(H2,11,13,14)
InChIKeyVPGMMULDFHOVSG-UHFFFAOYSA-N
MW348.11 g/mol
LogP1.58
Rot. Bonds2

About 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide

5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide (PubChem CID 130086457) has the molecular formula C7H7F2IN2O2S and a molecular weight of 348.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide
PubChem CID130086457
Molecular FormulaC7H7F2IN2O2S
Molecular Weight348.11 g/mol
Exact Mass347.92
IUPAC Name5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide
SMILESCc1nc(I)c(S(N)(=O)=O)cc1C(F)F
InChIInChI=1S/C7H7F2IN2O2S/c1-3-4(6(8)9)2-5(7(10)12-3)15(11,13)14/h2,6H,1H3,(H2,11,13,14)
InChIKeyVPGMMULDFHOVSG-UHFFFAOYSA-N
XLogP1.58
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.11
LogP ≤ 51.58
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'}

Analyze 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide?
The IUPAC name of 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide (CID 130086457) is 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide is Cc1nc(I)c(S(N)(=O)=O)cc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide?
The InChIKey is VPGMMULDFHOVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2IN2O2S/c1-3-4(6(8)9)2-5(7(10)12-3)15(11,13)14/h2,6H,1H3,(H2,11,13,14).
What are the key properties of 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide?
5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide has a molecular weight of 348.11 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide is sourced from PubChem (CID 130086457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).