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

C7H4F3N3O2S — CID 119012791

IUPAC6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
SMILESN#Cc1ncc(S(N)(=O)=O)c(F)c1C(F)F
InChIInChI=1S/C7H4F3N3O2S/c8-6-4(16(12,14)15)2-13-3(1-11)5(6)7(9)10/h2,7H,(H2,12,14,15)
InChIKeyBFNORQXVVNHFAF-UHFFFAOYSA-N
MW251.19 g/mol
LogP0.68
Rot. Bonds2

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

6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide (PubChem CID 119012791) has the molecular formula C7H4F3N3O2S and a molecular weight of 251.19 g/mol. Its IUPAC name is 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
PubChem CID119012791
Molecular FormulaC7H4F3N3O2S
Molecular Weight251.19 g/mol
Exact Mass251.00
IUPAC Name6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
SMILESN#Cc1ncc(S(N)(=O)=O)c(F)c1C(F)F
InChIInChI=1S/C7H4F3N3O2S/c8-6-4(16(12,14)15)2-13-3(1-11)5(6)7(9)10/h2,7H,(H2,12,14,15)
InChIKeyBFNORQXVVNHFAF-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

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Related Compounds

5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-sulfonamide
CID 134685278
6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide
CID 119012646
2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118993918
4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118799899
5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide
CID 134685987
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide
CID 130077803
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134674727
2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130076336
6-amino-2-cyano-3-(difluoromethyl)pyridine-4-sulfonamide
CID 130103745
3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
CID 130075896
ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134685699
6-(difluoromethyl)-4-fluoro-5-methylpyridine-3-sulfonamide
CID 118854245

Frequently Asked Questions

What is the IUPAC name of 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide?
The IUPAC name of 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide (CID 119012791) is 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide is N#Cc1ncc(S(N)(=O)=O)c(F)c1C(F)F.
What is the InChIKey of 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide?
The InChIKey is BFNORQXVVNHFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O2S/c8-6-4(16(12,14)15)2-13-3(1-11)5(6)7(9)10/h2,7H,(H2,12,14,15).
What are the key properties of 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide?
6-cyano-5-(difluoromethyl)-4-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 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 119012791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).