5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide

C7H4F3N3O2S — CID 134669756

IUPAC5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide
SMILESN#Cc1cnc(F)c(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H4F3N3O2S/c8-6(9)4-3(1-11)2-13-7(10)5(4)16(12,14)15/h2,6H,(H2,12,14,15)
InChIKeyZQXKNKSMOLPTLH-UHFFFAOYSA-N
MW251.19 g/mol
LogP0.68
Rot. Bonds2

About 5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide

5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide (PubChem CID 134669756) has the molecular formula C7H4F3N3O2S and a molecular weight of 251.19 g/mol. Its IUPAC name is 5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide
PubChem CID134669756
Molecular FormulaC7H4F3N3O2S
Molecular Weight251.19 g/mol
Exact Mass251.00
IUPAC Name5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide
SMILESN#Cc1cnc(F)c(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H4F3N3O2S/c8-6(9)4-3(1-11)2-13-7(10)5(4)16(12,14)15/h2,6H,(H2,12,14,15)
InChIKeyZQXKNKSMOLPTLH-UHFFFAOYSA-N
XLogP0.68
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile
CID 130076244
5-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-sulfonamide
CID 130077095
4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 134675025
5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile
CID 134662387
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
5-cyano-3-(difluoromethyl)-2-oxo-1H-pyridine-4-sulfonamide
CID 130077089
6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 119012791
2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130071437
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119020377
5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-sulfonamide
CID 134685278
5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130103617
6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130071480

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide?
The IUPAC name of 5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide (CID 134669756) is 5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide is N#Cc1cnc(F)c(S(N)(=O)=O)c1C(F)F.
What is the InChIKey of 5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide?
The InChIKey is ZQXKNKSMOLPTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O2S/c8-6(9)4-3(1-11)2-13-7(10)5(4)16(12,14)15/h2,6H,(H2,12,14,15).
What are the key properties of 5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide?
5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide has a molecular weight of 251.19 g/mol, XLogP of 0.68, 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)-2-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 134669756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).