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

C7H3F6N3O5S — CID 134671424

IUPAC2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide
SMILESNS(=O)(=O)c1c(OC(F)(F)F)cnc([N+](=O)[O-])c1C(F)(F)F
InChIInChI=1S/C7H3F6N3O5S/c8-6(9,10)3-4(22(14,19)20)2(21-7(11,12)13)1-15-5(3)16(17)18/h1H,(H2,14,19,20)
InChIKeyWBJDRVJGDCCUBQ-UHFFFAOYSA-N
MW355.17 g/mol
LogP1.55
Rot. Bonds3

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

2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide (PubChem CID 134671424) has the molecular formula C7H3F6N3O5S and a molecular weight of 355.17 g/mol. Its IUPAC name is 2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide
PubChem CID134671424
Molecular FormulaC7H3F6N3O5S
Molecular Weight355.17 g/mol
Exact Mass354.97
IUPAC Name2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide
SMILESNS(=O)(=O)c1c(OC(F)(F)F)cnc([N+](=O)[O-])c1C(F)(F)F
InChIInChI=1S/C7H3F6N3O5S/c8-6(9,10)3-4(22(14,19)20)2(21-7(11,12)13)1-15-5(3)16(17)18/h1H,(H2,14,19,20)
InChIKeyWBJDRVJGDCCUBQ-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

6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 134669805
3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672534
4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 118845540
3-hydroxy-2-methyl-5-(trifluoromethoxy)pyridine-4-sulfonamide
CID 134664231
3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134666720
3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095287
5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669587
5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine
CID 134675322
5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
CID 134659642
6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
CID 134680199
4-bromo-2-nitro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118810479

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide (CID 134671424) is 2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide is NS(=O)(=O)c1c(OC(F)(F)F)cnc([N+](=O)[O-])c1C(F)(F)F.
What is the InChIKey of 2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide?
The InChIKey is WBJDRVJGDCCUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6N3O5S/c8-6(9,10)3-4(22(14,19)20)2(21-7(11,12)13)1-15-5(3)16(17)18/h1H,(H2,14,19,20).
What are the key properties of 2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide?
2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-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 2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 134671424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).