6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide

C7H7F2N3O5S — CID 133087549

IUPAC6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide
SMILESCOc1c([N+](=O)[O-])cc(C(F)F)nc1S(N)(=O)=O
InChIInChI=1S/C7H7F2N3O5S/c1-17-5-4(12(13)14)2-3(6(8)9)11-7(5)18(10,15)16/h2,6H,1H3,(H2,10,15,16)
InChIKeyAUDNHKHIGBGJDT-UHFFFAOYSA-N
MW283.21 g/mol
LogP0.58
Rot. Bonds4

About 6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide

6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide (PubChem CID 133087549) has the molecular formula C7H7F2N3O5S and a molecular weight of 283.21 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide
PubChem CID133087549
Molecular FormulaC7H7F2N3O5S
Molecular Weight283.21 g/mol
Exact Mass283.01
IUPAC Name6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide
SMILESCOc1c([N+](=O)[O-])cc(C(F)F)nc1S(N)(=O)=O
InChIInChI=1S/C7H7F2N3O5S/c1-17-5-4(12(13)14)2-3(6(8)9)11-7(5)18(10,15)16/h2,6H,1H3,(H2,10,15,16)
InChIKeyAUDNHKHIGBGJDT-UHFFFAOYSA-N
XLogP0.58
TPSA125.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide
CID 133087554
3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide
CID 133087613
6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-sulfonamide
CID 133098978
3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446537
3-bromo-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131491229
6-(difluoromethyl)-3-fluoro-2-methoxypyridine-4-sulfonamide
CID 133105136
6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine
CID 133099375
6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide
CID 134664686
3-chloro-6-(difluoromethyl)-4-fluoropyridine-2-sulfonamide
CID 134663670
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
2-(difluoromethyl)-3-methoxy-4-nitro-6-(trifluoromethyl)pyridine
CID 118842821
3-amino-6-(difluoromethyl)-4-methylpyridine-2-sulfonamide
CID 130106771

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide?
The IUPAC name of 6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide (CID 133087549) is 6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide.
What is the SMILES notation for 6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide?
The canonical SMILES for 6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide is COc1c([N+](=O)[O-])cc(C(F)F)nc1S(N)(=O)=O.
What is the InChIKey of 6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide?
The InChIKey is AUDNHKHIGBGJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O5S/c1-17-5-4(12(13)14)2-3(6(8)9)11-7(5)18(10,15)16/h2,6H,1H3,(H2,10,15,16).
What are the key properties of 6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide?
6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide has a molecular weight of 283.21 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide is sourced from PubChem (CID 133087549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).