5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide

C7H3F6N3O5S — CID 134669008

IUPAC5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)c([N+](=O)[O-])c(OC(F)(F)F)n1
InChIInChI=1S/C7H3F6N3O5S/c8-6(9,10)2-1-3(22(14,19)20)15-5(4(2)16(17)18)21-7(11,12)13/h1H,(H2,14,19,20)
InChIKeyXOQWITSCBXPZKF-UHFFFAOYSA-N
MW355.17 g/mol
LogP1.55
Rot. Bonds3

About 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide

5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 134669008) has the molecular formula C7H3F6N3O5S and a molecular weight of 355.17 g/mol. Its IUPAC name is 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID134669008
Molecular FormulaC7H3F6N3O5S
Molecular Weight355.17 g/mol
Exact Mass354.97
IUPAC Name5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)c([N+](=O)[O-])c(OC(F)(F)F)n1
InChIInChI=1S/C7H3F6N3O5S/c8-6(9,10)2-1-3(22(14,19)20)15-5(4(2)16(17)18)21-7(11,12)13/h1H,(H2,14,19,20)
InChIKeyXOQWITSCBXPZKF-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-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 134670731
3-nitro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672531
5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134664491
5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680784
4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134682371
[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134667507
4-nitro-3-(trifluoromethyl)naphthalen-1-ol
CID 162194943
5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134666720
6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 134669805
6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660949
5-methyl-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118812911
6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669634

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide (CID 134669008) is 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide is NS(=O)(=O)c1cc(C(F)(F)F)c([N+](=O)[O-])c(OC(F)(F)F)n1.
What is the InChIKey of 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is XOQWITSCBXPZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6N3O5S/c8-6(9,10)2-1-3(22(14,19)20)15-5(4(2)16(17)18)21-7(11,12)13/h1H,(H2,14,19,20).
What are the key properties of 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide?
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-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 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 134669008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).