3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide

C6H4ClF2IN2O2S — CID 130073590

IUPAC3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide
SMILESNS(=O)(=O)c1cc(I)nc(C(F)F)c1Cl
InChIInChI=1S/C6H4ClF2IN2O2S/c7-4-2(15(11,13)14)1-3(10)12-5(4)6(8)9/h1,6H,(H2,11,13,14)
InChIKeyJDCOPJYBRDVQRZ-UHFFFAOYSA-N
MW368.53 g/mol
LogP1.92
Rot. Bonds2

About 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide

3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide (PubChem CID 130073590) has the molecular formula C6H4ClF2IN2O2S and a molecular weight of 368.53 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide
PubChem CID130073590
Molecular FormulaC6H4ClF2IN2O2S
Molecular Weight368.53 g/mol
Exact Mass367.87
IUPAC Name3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide
SMILESNS(=O)(=O)c1cc(I)nc(C(F)F)c1Cl
InChIInChI=1S/C6H4ClF2IN2O2S/c7-4-2(15(11,13)14)1-3(10)12-5(4)6(8)9/h1,6H,(H2,11,13,14)
InChIKeyJDCOPJYBRDVQRZ-UHFFFAOYSA-N
XLogP1.92
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 51.92
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

3-chloro-2-(difluoromethyl)-6-methylpyridine-4-sulfonamide
CID 134674571
3-(difluoromethyl)-2,6-diiodopyridine-4-sulfonamide
CID 134671949
3-chloro-2-(difluoromethyl)-6-iodo-4-methylpyridine
CID 130073016
2-(difluoromethyl)-6-iodo-4-methoxypyridine-3-sulfonamide
CID 119008795
6-chloro-2-(difluoromethyl)-3-hydroxypyridine-4-sulfonamide
CID 130072903
6-chloro-2-(difluoromethyl)-4-iodopyridine-3-sulfonamide
CID 130073584
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-sulfonamide
CID 130073589
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
CID 130070976
4-amino-5-chloro-6-(difluoromethyl)pyridine-3-sulfonamide
CID 118817790
5-chloro-2-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 134685410
2-chloro-5-fluoro-3-methylbenzenesulfonamide
CID 119005031
3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
CID 134677678

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide?
The IUPAC name of 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide (CID 130073590) is 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide is NS(=O)(=O)c1cc(I)nc(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide?
The InChIKey is JDCOPJYBRDVQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2IN2O2S/c7-4-2(15(11,13)14)1-3(10)12-5(4)6(8)9/h1,6H,(H2,11,13,14).
What are the key properties of 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide?
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide has a molecular weight of 368.53 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide is sourced from PubChem (CID 130073590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).