4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide

C11H7ClFIN2O2S — CID 79768669

IUPAC4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1I)c1cnccc1Cl
InChIInChI=1S/C11H7ClFIN2O2S/c12-8-3-4-15-6-11(8)19(17,18)16-10-2-1-7(13)5-9(10)14/h1-6,16H
InChIKeyFGCDXDSRHCZXEH-UHFFFAOYSA-N
MW412.61 g/mol
LogP3.28
Rot. Bonds3

About 4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide

4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide (PubChem CID 79768669) has the molecular formula C11H7ClFIN2O2S and a molecular weight of 412.61 g/mol. Its IUPAC name is 4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide
PubChem CID79768669
Molecular FormulaC11H7ClFIN2O2S
Molecular Weight412.61 g/mol
Exact Mass411.89
IUPAC Name4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1I)c1cnccc1Cl
InChIInChI=1S/C11H7ClFIN2O2S/c12-8-3-4-15-6-11(8)19(17,18)16-10-2-1-7(13)5-9(10)14/h1-6,16H
InChIKeyFGCDXDSRHCZXEH-UHFFFAOYSA-N
XLogP3.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.61
LogP ≤ 53.28
H-Bond Donors ≤ 51
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-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide (CID 79768669) is 4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)cc1I)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide?
The InChIKey is FGCDXDSRHCZXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFIN2O2S/c12-8-3-4-15-6-11(8)19(17,18)16-10-2-1-7(13)5-9(10)14/h1-6,16H.
What are the key properties of 4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide?
4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide has a molecular weight of 412.61 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 79768669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).