2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide

C6H4F3IN2O2S — CID 131297996

IUPAC2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)cnc1I
InChIInChI=1S/C6H4F3IN2O2S/c7-6(8,9)3-1-4(15(11,13)14)5(10)12-2-3/h1-2H,(H2,11,13,14)
InChIKeyGXLRCJQJIOZLRJ-UHFFFAOYSA-N
MW352.08 g/mol
LogP1.35
Rot. Bonds1

About 2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide

2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 131297996) has the molecular formula C6H4F3IN2O2S and a molecular weight of 352.08 g/mol. Its IUPAC name is 2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID131297996
Molecular FormulaC6H4F3IN2O2S
Molecular Weight352.08 g/mol
Exact Mass351.90
IUPAC Name2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)cnc1I
InChIInChI=1S/C6H4F3IN2O2S/c7-6(8,9)3-1-4(15(11,13)14)5(10)12-2-3/h1-2H,(H2,11,13,14)
InChIKeyGXLRCJQJIOZLRJ-UHFFFAOYSA-N
XLogP1.35
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.08
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide (CID 131297996) is 2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide is NS(=O)(=O)c1cc(C(F)(F)F)cnc1I.
What is the InChIKey of 2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is GXLRCJQJIOZLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3IN2O2S/c7-6(8,9)3-1-4(15(11,13)14)5(10)12-2-3/h1-2H,(H2,11,13,14).
What are the key properties of 2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide?
2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 352.08 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 131297996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).