6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide

C7H3F6N3O5S — CID 134669805

IUPAC6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(OC(F)(F)F)c([N+](=O)[O-])nc1C(F)(F)F
InChIInChI=1S/C7H3F6N3O5S/c8-6(9,10)4-3(22(14,19)20)1-2(21-7(11,12)13)5(15-4)16(17)18/h1H,(H2,14,19,20)
InChIKeyNHAGOFPOWCAABC-UHFFFAOYSA-N
MW355.17 g/mol
LogP1.55
Rot. Bonds3

About 6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide

6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 134669805) has the molecular formula C7H3F6N3O5S and a molecular weight of 355.17 g/mol. Its IUPAC name is 6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID134669805
Molecular FormulaC7H3F6N3O5S
Molecular Weight355.17 g/mol
Exact Mass354.97
IUPAC Name6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(OC(F)(F)F)c([N+](=O)[O-])nc1C(F)(F)F
InChIInChI=1S/C7H3F6N3O5S/c8-6(9,10)4-3(22(14,19)20)1-2(21-7(11,12)13)5(15-4)16(17)18/h1H,(H2,14,19,20)
InChIKeyNHAGOFPOWCAABC-UHFFFAOYSA-N
XLogP1.55
TPSA125.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 51.55
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'}

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Related Compounds

5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134666720
5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134664491
5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669587
2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide
CID 134671424
6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660949
[2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134678950
6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134664304
[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
CID 134669008
3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 118818568
2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134661564
6-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134679348

Frequently Asked Questions

What is the IUPAC name of 6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide (CID 134669805) is 6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide is NS(=O)(=O)c1cc(OC(F)(F)F)c([N+](=O)[O-])nc1C(F)(F)F.
What is the InChIKey of 6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is NHAGOFPOWCAABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6N3O5S/c8-6(9,10)4-3(22(14,19)20)1-2(21-7(11,12)13)5(15-4)16(17)18/h1H,(H2,14,19,20).
What are the key properties of 6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide?
6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 355.17 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 134669805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).