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

C6H6F3N3O2S — CID 130104467

IUPAC3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
SMILESNc1c(S(N)(=O)=O)cc(C(F)F)nc1F
InChIInChI=1S/C6H6F3N3O2S/c7-5(8)2-1-3(15(11,13)14)4(10)6(9)12-2/h1,5H,10H2,(H2,11,13,14)
InChIKeyMUFDJQWYANPLRC-UHFFFAOYSA-N
MW241.19 g/mol
LogP0.39
Rot. Bonds2

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

3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide (PubChem CID 130104467) has the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide.

Molecular Properties

Compound Name3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
PubChem CID130104467
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Exact Mass241.01
IUPAC Name3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
SMILESNc1c(S(N)(=O)=O)cc(C(F)F)nc1F
InChIInChI=1S/C6H6F3N3O2S/c7-5(8)2-1-3(15(11,13)14)4(10)6(9)12-2/h1,5H,10H2,(H2,11,13,14)
InChIKeyMUFDJQWYANPLRC-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

3-bromo-6-(difluoromethyl)-2-methylpyridine-4-sulfonamide
CID 130069661
6-(difluoromethyl)-3-fluoro-2-methoxypyridine-4-sulfonamide
CID 133105136
6-(difluoromethyl)-3-iodo-2-methylpyridine-4-sulfonamide
CID 130086431
6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
CID 130104441
6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-sulfonamide
CID 133098978
3-amino-6-(difluoromethyl)-4-methylpyridine-2-sulfonamide
CID 130106771
2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide
CID 119017925
5-bromo-2-(difluoromethyl)pyridine-4-sulfonamide
CID 130095357
6-(difluoromethyl)-2,4-difluoropyridine-3-sulfonyl chloride
CID 130099937
5-chloro-2-(difluoromethyl)pyridine-4-sulfonamide
CID 130095776
2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide
CID 130102336
3-chloro-6-(difluoromethyl)-4-fluoropyridine-2-sulfonamide
CID 134663670

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide?
The IUPAC name of 3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide (CID 130104467) is 3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide.
What is the SMILES notation for 3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide?
The canonical SMILES for 3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide is Nc1c(S(N)(=O)=O)cc(C(F)F)nc1F.
What is the InChIKey of 3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide?
The InChIKey is MUFDJQWYANPLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2S/c7-5(8)2-1-3(15(11,13)14)4(10)6(9)12-2/h1,5H,10H2,(H2,11,13,14).
What are the key properties of 3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide?
3-amino-6-(difluoromethyl)-2-fluoropyridine-4-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 3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide is sourced from PubChem (CID 130104467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).