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

C6H6F3N3O2S — CID 130104441

IUPAC6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
SMILESNc1cc(S(N)(=O)=O)c(C(F)F)c(F)n1
InChIInChI=1S/C6H6F3N3O2S/c7-5(8)4-2(15(11,13)14)1-3(10)12-6(4)9/h1,5H,(H2,10,12)(H2,11,13,14)
InChIKeyOUOINPQRCQFUOX-UHFFFAOYSA-N
MW241.19 g/mol
LogP0.39
Rot. Bonds2

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

6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide (PubChem CID 130104441) has the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide.

Molecular Properties

Compound Name6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
PubChem CID130104441
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Exact Mass241.01
IUPAC Name6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
SMILESNc1cc(S(N)(=O)=O)c(C(F)F)c(F)n1
InChIInChI=1S/C6H6F3N3O2S/c7-5(8)4-2(15(11,13)14)1-3(10)12-6(4)9/h1,5H,(H2,10,12)(H2,11,13,14)
InChIKeyOUOINPQRCQFUOX-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

2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide
CID 119003766
6-amino-2-cyano-3-(difluoromethyl)pyridine-4-sulfonamide
CID 130103745
6-amino-3-(difluoromethyl)-2-nitropyridine-4-sulfonamide
CID 134676922
2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118996815
6-amino-4-bromo-3-(difluoromethyl)pyridine-2-sulfonamide
CID 130102335
3-(difluoromethyl)-2,6-diiodopyridine-4-sulfonamide
CID 134671949
3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
CID 130104467
2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118993918
2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide
CID 119008964
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 130104457
5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130102347
6-amino-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 119016728

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide?
The IUPAC name of 6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide (CID 130104441) is 6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide.
What is the SMILES notation for 6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide?
The canonical SMILES for 6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide is Nc1cc(S(N)(=O)=O)c(C(F)F)c(F)n1.
What is the InChIKey of 6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide?
The InChIKey is OUOINPQRCQFUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2S/c7-5(8)4-2(15(11,13)14)1-3(10)12-6(4)9/h1,5H,(H2,10,12)(H2,11,13,14).
What are the key properties of 6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide?
6-amino-3-(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 6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide is sourced from PubChem (CID 130104441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).