5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide

C6H6F3N3O2S — CID 130104457

IUPAC5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
SMILESNc1cc(C(F)F)c(S(N)(=O)=O)nc1F
InChIInChI=1S/C6H6F3N3O2S/c7-4(8)2-1-3(10)5(9)12-6(2)15(11,13)14/h1,4H,10H2,(H2,11,13,14)
InChIKeyGKIYGVZUOUJJJL-UHFFFAOYSA-N
MW241.19 g/mol
LogP0.39
Rot. Bonds2

About 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide

5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide (PubChem CID 130104457) has the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
PubChem CID130104457
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Exact Mass241.01
IUPAC Name5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
SMILESNc1cc(C(F)F)c(S(N)(=O)=O)nc1F
InChIInChI=1S/C6H6F3N3O2S/c7-4(8)2-1-3(10)5(9)12-6(2)15(11,13)14/h1,4H,10H2,(H2,11,13,14)
InChIKeyGKIYGVZUOUJJJL-UHFFFAOYSA-N
XLogP0.39
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide
CID 118995452
6-chloro-5-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102456
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130104260
5-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridin-3-amine
CID 130104126
5-chloro-3-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
CID 134669477
5-(difluoromethyl)-2-fluoro-6-methoxypyridin-3-amine
CID 130103897
6-bromo-3-(difluoromethyl)pyridine-2-sulfonamide
CID 130095345
5,6-diamino-4-(difluoromethyl)pyridine-2-sulfonamide
CID 118803869
3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 134685094
4-amino-3-bromo-6-(difluoromethyl)pyridine-2-sulfonamide
CID 118839782
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606
4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide
CID 118807407

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide?
The IUPAC name of 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide (CID 130104457) is 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide?
The canonical SMILES for 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide is Nc1cc(C(F)F)c(S(N)(=O)=O)nc1F.
What is the InChIKey of 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide?
The InChIKey is GKIYGVZUOUJJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2S/c7-4(8)2-1-3(10)5(9)12-6(2)15(11,13)14/h1,4H,10H2,(H2,11,13,14).
What are the key properties of 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide?
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide has a molecular weight of 241.19 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 130104457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).