5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide

C6H6F2IN3O2S — CID 130105762

IUPAC5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide
SMILESNc1cnc(I)c(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C6H6F2IN3O2S/c7-5(8)3-2(10)1-12-6(9)4(3)15(11,13)14/h1,5H,10H2,(H2,11,13,14)
InChIKeyDNYSFDZDHHOEND-UHFFFAOYSA-N
MW349.10 g/mol
LogP0.85
Rot. Bonds2

About 5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide

5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide (PubChem CID 130105762) has the molecular formula C6H6F2IN3O2S and a molecular weight of 349.10 g/mol. Its IUPAC name is 5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide.

Molecular Properties

Compound Name5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide
PubChem CID130105762
Molecular FormulaC6H6F2IN3O2S
Molecular Weight349.10 g/mol
Exact Mass348.92
IUPAC Name5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide
SMILESNc1cnc(I)c(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C6H6F2IN3O2S/c7-5(8)3-2(10)1-12-6(9)4(3)15(11,13)14/h1,5H,10H2,(H2,11,13,14)
InChIKeyDNYSFDZDHHOEND-UHFFFAOYSA-N
XLogP0.85
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.10
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-amino-2-chloro-4-(difluoromethyl)pyridine-3-sulfonamide
CID 130103132
4-(difluoromethyl)-5,6-diiodopyridin-3-amine
CID 130100391
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide
CID 130102361
5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
CID 130105277
2-amino-5-chloro-4-(difluoromethyl)pyridine-3-sulfonamide
CID 119021143
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide
CID 130077803
3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride
CID 130083037
5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine
CID 130105403
5-amino-4-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103084
5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103258
2-chloro-3-(difluoromethyl)-5-hydroxypyridine-4-sulfonamide
CID 130072896
2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
CID 118995756

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide?
The IUPAC name of 5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide (CID 130105762) is 5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide.
What is the SMILES notation for 5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide?
The canonical SMILES for 5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide is Nc1cnc(I)c(S(N)(=O)=O)c1C(F)F.
What is the InChIKey of 5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide?
The InChIKey is DNYSFDZDHHOEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2IN3O2S/c7-5(8)3-2(10)1-12-6(9)4(3)15(11,13)14/h1,5H,10H2,(H2,11,13,14).
What are the key properties of 5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide?
5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide has a molecular weight of 349.10 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide is sourced from PubChem (CID 130105762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).