6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide

C6H4F3N3O6S — CID 134680199

IUPAC6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1c(OC(F)(F)F)cc([N+](=O)[O-])[nH]c1=O
InChIInChI=1S/C6H4F3N3O6S/c7-6(8,9)18-2-1-3(12(14)15)11-5(13)4(2)19(10,16)17/h1H,(H,11,13)(H2,10,16,17)
InChIKeyZJRPMGZUKCTKGH-UHFFFAOYSA-N
MW303.17 g/mol
LogP-0.17
Rot. Bonds3

About 6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide

6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide (PubChem CID 134680199) has the molecular formula C6H4F3N3O6S and a molecular weight of 303.17 g/mol. Its IUPAC name is 6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
PubChem CID134680199
Molecular FormulaC6H4F3N3O6S
Molecular Weight303.17 g/mol
Exact Mass302.98
IUPAC Name6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1c(OC(F)(F)F)cc([N+](=O)[O-])[nH]c1=O
InChIInChI=1S/C6H4F3N3O6S/c7-6(8,9)18-2-1-3(12(14)15)11-5(13)4(2)19(10,16)17/h1H,(H,11,13)(H2,10,16,17)
InChIKeyZJRPMGZUKCTKGH-UHFFFAOYSA-N
XLogP-0.17
TPSA145.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-methyl-2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
CID 134679128
6-nitro-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118833096
2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide
CID 134671424
6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 134669805
5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134666720
6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660949
6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118837677
5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669587
2-(bromomethyl)-6-nitro-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118810096
2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 134662841
5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134665025
6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide
CID 134630706

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide (CID 134680199) is 6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide is NS(=O)(=O)c1c(OC(F)(F)F)cc([N+](=O)[O-])[nH]c1=O.
What is the InChIKey of 6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide?
The InChIKey is ZJRPMGZUKCTKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O6S/c7-6(8,9)18-2-1-3(12(14)15)11-5(13)4(2)19(10,16)17/h1H,(H,11,13)(H2,10,16,17).
What are the key properties of 6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide?
6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide has a molecular weight of 303.17 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 134680199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).