N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide

C14H10F6N4O3S — CID 2746649

IUPACN'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide
SMILESNC(=NNS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H10F6N4O3S/c15-13(16,17)8-5-6-9(22-7-8)12(21)23-24-28(25,26)11-4-2-1-3-10(11)27-14(18,19)20/h1-7,24H,(H2,21,23)
InChIKeyLLIPISSQVCVEHS-UHFFFAOYSA-N
MW428.31 g/mol
LogP2.60
Rot. Bonds5

About N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide

N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide (PubChem CID 2746649) has the molecular formula C14H10F6N4O3S and a molecular weight of 428.31 g/mol. Its IUPAC name is N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide
PubChem CID2746649
Molecular FormulaC14H10F6N4O3S
Molecular Weight428.31 g/mol
Exact Mass428.04
IUPAC NameN'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide
SMILESNC(=NNS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H10F6N4O3S/c15-13(16,17)8-5-6-9(22-7-8)12(21)23-24-28(25,26)11-4-2-1-3-10(11)27-14(18,19)20/h1-7,24H,(H2,21,23)
InChIKeyLLIPISSQVCVEHS-UHFFFAOYSA-N
XLogP2.60
TPSA106.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 2746581
N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 135949149
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 71943479
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 118813597
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
sodium 2-(trifluoromethoxy)benzenesulfonate
CID 112705039
2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide
CID 75396723
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122303163
5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide
CID 15160173

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide?
The IUPAC name of N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide (CID 2746649) is N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide?
The canonical SMILES for N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide is NC(=NNS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide?
The InChIKey is LLIPISSQVCVEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N4O3S/c15-13(16,17)8-5-6-9(22-7-8)12(21)23-24-28(25,26)11-4-2-1-3-10(11)27-14(18,19)20/h1-7,24H,(H2,21,23).
What are the key properties of N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide?
N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide has a molecular weight of 428.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 2746649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).