N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

C8H6F3N3O3S — CID 139597290

IUPACN-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCOc1nccc(C(F)(F)F)c1S(=O)(=O)NC#N
InChIInChI=1S/C8H6F3N3O3S/c1-17-7-6(18(15,16)14-4-12)5(2-3-13-7)8(9,10)11/h2-3,14H,1H3
InChIKeyUHQMUHGVGXBPEM-UHFFFAOYSA-N
MW281.22 g/mol
LogP0.87
Rot. Bonds3

About N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 139597290) has the molecular formula C8H6F3N3O3S and a molecular weight of 281.22 g/mol. Its IUPAC name is N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID139597290
Molecular FormulaC8H6F3N3O3S
Molecular Weight281.22 g/mol
Exact Mass281.01
IUPAC NameN-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCOc1nccc(C(F)(F)F)c1S(=O)(=O)NC#N
InChIInChI=1S/C8H6F3N3O3S/c1-17-7-6(18(15,16)14-4-12)5(2-3-13-7)8(9,10)11/h2-3,14H,1H3
InChIKeyUHQMUHGVGXBPEM-UHFFFAOYSA-N
XLogP0.87
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide (CID 139597290) is N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide is COc1nccc(C(F)(F)F)c1S(=O)(=O)NC#N.
What is the InChIKey of N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is UHQMUHGVGXBPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O3S/c1-17-7-6(18(15,16)14-4-12)5(2-3-13-7)8(9,10)11/h2-3,14H,1H3.
What are the key properties of N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?
N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 281.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 139597290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).