2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide

C6H4F3IN2O2S — CID 131297995

IUPAC2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide
SMILESNS(=O)(=O)c1cc(I)ncc1C(F)(F)F
InChIInChI=1S/C6H4F3IN2O2S/c7-6(8,9)3-2-12-5(10)1-4(3)15(11,13)14/h1-2H,(H2,11,13,14)
InChIKeyZIVXJTRTBPKKDX-UHFFFAOYSA-N
MW352.08 g/mol
LogP1.35
Rot. Bonds1

About 2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide

2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide (PubChem CID 131297995) has the molecular formula C6H4F3IN2O2S and a molecular weight of 352.08 g/mol. Its IUPAC name is 2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide
PubChem CID131297995
Molecular FormulaC6H4F3IN2O2S
Molecular Weight352.08 g/mol
Exact Mass351.90
IUPAC Name2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide
SMILESNS(=O)(=O)c1cc(I)ncc1C(F)(F)F
InChIInChI=1S/C6H4F3IN2O2S/c7-6(8,9)3-2-12-5(10)1-4(3)15(11,13)14/h1-2H,(H2,11,13,14)
InChIKeyZIVXJTRTBPKKDX-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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Related Compounds

2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 131297996
5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 119007924
4-(trifluoromethyl)benzene-1,3-disulfonamide
CID 154218249
2-bromo-4,5-bis(trifluoromethyl)benzenesulfonamide
CID 118845609
4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide
CID 154727788
4-formyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 134638617
4-ethyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 119003631
4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060
2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide
CID 119003736
6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 131321610
5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 131462426
2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 151067275

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide (CID 131297995) is 2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide is NS(=O)(=O)c1cc(I)ncc1C(F)(F)F.
What is the InChIKey of 2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide?
The InChIKey is ZIVXJTRTBPKKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3IN2O2S/c7-6(8,9)3-2-12-5(10)1-4(3)15(11,13)14/h1-2H,(H2,11,13,14).
What are the key properties of 2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide?
2-iodo-5-(trifluoromethyl)pyridine-4-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-4-sulfonamide is sourced from PubChem (CID 131297995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).