3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide

C7H4F3N3O2S — CID 134685094

IUPAC3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
SMILESN#Cc1c(C(F)F)cc(F)nc1S(N)(=O)=O
InChIInChI=1S/C7H4F3N3O2S/c8-5-1-3(6(9)10)4(2-11)7(13-5)16(12,14)15/h1,6H,(H2,12,14,15)
InChIKeyUCLCGOWATHKZJN-UHFFFAOYSA-N
MW251.19 g/mol
LogP0.68
Rot. Bonds2

About 3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide

3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide (PubChem CID 134685094) has the molecular formula C7H4F3N3O2S and a molecular weight of 251.19 g/mol. Its IUPAC name is 3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound Name3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
PubChem CID134685094
Molecular FormulaC7H4F3N3O2S
Molecular Weight251.19 g/mol
Exact Mass251.00
IUPAC Name3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
SMILESN#Cc1c(C(F)F)cc(F)nc1S(N)(=O)=O
InChIInChI=1S/C7H4F3N3O2S/c8-5-1-3(6(9)10)4(2-11)7(13-5)16(12,14)15/h1,6H,(H2,12,14,15)
InChIKeyUCLCGOWATHKZJN-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

4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594
4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-sulfonamide
CID 118810649
3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride
CID 130078518
6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide
CID 118995452
2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118993918
4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide
CID 134672433
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606
6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide
CID 134664686
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 130104457
4-bromo-6-cyano-3-(difluoromethyl)pyridine-2-sulfonamide
CID 118822647
6-cyano-2-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 134686189
2-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 134684129

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide?
The IUPAC name of 3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide (CID 134685094) is 3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide.
What is the SMILES notation for 3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide?
The canonical SMILES for 3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide is N#Cc1c(C(F)F)cc(F)nc1S(N)(=O)=O.
What is the InChIKey of 3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide?
The InChIKey is UCLCGOWATHKZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O2S/c8-5-1-3(6(9)10)4(2-11)7(13-5)16(12,14)15/h1,6H,(H2,12,14,15).
What are the key properties of 3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide?
3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-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 3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 134685094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).