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

C7H4F3N3O2S — CID 118993918

IUPAC2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
SMILESN#Cc1nc(F)cc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H4F3N3O2S/c8-5-1-4(16(12,14)15)6(7(9)10)3(2-11)13-5/h1,7H,(H2,12,14,15)
InChIKeyRDVYOPHMNZNULO-UHFFFAOYSA-N
MW251.19 g/mol
LogP0.68
Rot. Bonds2

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

2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide (PubChem CID 118993918) has the molecular formula C7H4F3N3O2S and a molecular weight of 251.19 g/mol. Its IUPAC name is 2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide.

Molecular Properties

Compound Name2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
PubChem CID118993918
Molecular FormulaC7H4F3N3O2S
Molecular Weight251.19 g/mol
Exact Mass251.00
IUPAC Name2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
SMILESN#Cc1nc(F)cc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H4F3N3O2S/c8-5-1-4(16(12,14)15)6(7(9)10)3(2-11)13-5/h1,7H,(H2,12,14,15)
InChIKeyRDVYOPHMNZNULO-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

6-amino-2-cyano-3-(difluoromethyl)pyridine-4-sulfonamide
CID 130103745
2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118996815
4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 118845275
6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 119012791
5-amino-2-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 130103775
2-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 134684129
5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-sulfonamide
CID 134685278
5-chloro-2-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 134685410
6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
CID 130104441
3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 134685094
6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide
CID 119012646
2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide
CID 119003766

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide?
The IUPAC name of 2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide (CID 118993918) is 2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide.
What is the SMILES notation for 2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide?
The canonical SMILES for 2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide is N#Cc1nc(F)cc(S(N)(=O)=O)c1C(F)F.
What is the InChIKey of 2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide?
The InChIKey is RDVYOPHMNZNULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O2S/c8-5-1-4(16(12,14)15)6(7(9)10)3(2-11)13-5/h1,7H,(H2,12,14,15).
What are the key properties of 2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide?
2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-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 2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide is sourced from PubChem (CID 118993918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).