3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide

C7H6F3N3O6S — CID 134670336

IUPAC3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESCOc1c(S(N)(=O)=O)ncc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C7H6F3N3O6S/c1-18-5-4(19-7(8,9)10)3(13(14)15)2-12-6(5)20(11,16)17/h2H,1H3,(H2,11,16,17)
InChIKeyVFNZHINOOIOCEA-UHFFFAOYSA-N
MW317.20 g/mol
LogP0.54
Rot. Bonds4

About 3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide

3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide (PubChem CID 134670336) has the molecular formula C7H6F3N3O6S and a molecular weight of 317.20 g/mol. Its IUPAC name is 3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide
PubChem CID134670336
Molecular FormulaC7H6F3N3O6S
Molecular Weight317.20 g/mol
Exact Mass316.99
IUPAC Name3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESCOc1c(S(N)(=O)=O)ncc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C7H6F3N3O6S/c1-18-5-4(19-7(8,9)10)3(13(14)15)2-12-6(5)20(11,16)17/h2H,1H3,(H2,11,16,17)
InChIKeyVFNZHINOOIOCEA-UHFFFAOYSA-N
XLogP0.54
TPSA134.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide
CID 133087554
2-(chloromethyl)-3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine
CID 118826839
methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134677978
4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660596
2-iodo-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666765
2-chloro-3-methyl-5-nitro-4-(trifluoromethoxy)pyridine
CID 119001829
4-(chloromethyl)-3-methoxy-5-nitro-2-(trifluoromethoxy)pyridine
CID 134681996
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
2-[2-methoxy-5-nitro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134677912
6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660949
ethyl 3-methyl-5-nitro-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677650
4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine
CID 118801353

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide?
The IUPAC name of 3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide (CID 134670336) is 3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide.
What is the SMILES notation for 3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide?
The canonical SMILES for 3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide is COc1c(S(N)(=O)=O)ncc([N+](=O)[O-])c1OC(F)(F)F.
What is the InChIKey of 3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide?
The InChIKey is VFNZHINOOIOCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O6S/c1-18-5-4(19-7(8,9)10)3(13(14)15)2-12-6(5)20(11,16)17/h2H,1H3,(H2,11,16,17).
What are the key properties of 3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide?
3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide has a molecular weight of 317.20 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide is sourced from PubChem (CID 134670336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).