5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide

C7H4F2IN3O2S — CID 130077803

IUPAC5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide
SMILESN#Cc1c(I)ncc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H4F2IN3O2S/c8-6(9)5-3(1-11)7(10)13-2-4(5)16(12,14)15/h2,6H,(H2,12,14,15)
InChIKeyRORRKSISQHKVDB-UHFFFAOYSA-N
MW359.10 g/mol
LogP1.14
Rot. Bonds2

About 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide

5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide (PubChem CID 130077803) has the molecular formula C7H4F2IN3O2S and a molecular weight of 359.10 g/mol. Its IUPAC name is 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide
PubChem CID130077803
Molecular FormulaC7H4F2IN3O2S
Molecular Weight359.10 g/mol
Exact Mass358.90
IUPAC Name5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide
SMILESN#Cc1c(I)ncc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H4F2IN3O2S/c8-6(9)5-3(1-11)7(10)13-2-4(5)16(12,14)15/h2,6H,(H2,12,14,15)
InChIKeyRORRKSISQHKVDB-UHFFFAOYSA-N
XLogP1.14
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.10
LogP ≤ 51.14
H-Bond Donors ≤ 51
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-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride
CID 130077762
5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide
CID 134685987
4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
CID 130100457
4-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carbonitrile
CID 130075921
5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-sulfonamide
CID 134685278
6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 119012791
6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide
CID 119012646
5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103258
6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103695
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
CID 130075927
5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide
CID 130105762
3-amino-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103257

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide?
The IUPAC name of 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide (CID 130077803) is 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide is N#Cc1c(I)ncc(S(N)(=O)=O)c1C(F)F.
What is the InChIKey of 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide?
The InChIKey is RORRKSISQHKVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2IN3O2S/c8-6(9)5-3(1-11)7(10)13-2-4(5)16(12,14)15/h2,6H,(H2,12,14,15).
What are the key properties of 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide?
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide has a molecular weight of 359.10 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide is sourced from PubChem (CID 130077803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).