5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide

C13H10F3N3O5S — CID 15160173

IUPAC5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide
SMILESCOc1cnc(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)nc1
InChIInChI=1S/C13H10F3N3O5S/c1-23-8-6-17-11(18-7-8)12(20)19-25(21,22)10-5-3-2-4-9(10)24-13(14,15)16/h2-7H,1H3,(H,19,20)
InChIKeyXDGMTLKXSOXXHC-UHFFFAOYSA-N
MW377.30 g/mol
LogP1.50
Rot. Bonds5

About 5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide

5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide (PubChem CID 15160173) has the molecular formula C13H10F3N3O5S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide
PubChem CID15160173
Molecular FormulaC13H10F3N3O5S
Molecular Weight377.30 g/mol
Exact Mass377.03
IUPAC Name5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide
SMILESCOc1cnc(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)nc1
InChIInChI=1S/C13H10F3N3O5S/c1-23-8-6-17-11(18-7-8)12(20)19-25(21,22)10-5-3-2-4-9(10)24-13(14,15)16/h2-7H,1H3,(H,19,20)
InChIKeyXDGMTLKXSOXXHC-UHFFFAOYSA-N
XLogP1.50
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 86302434
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
CID 23002410
3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide
CID 14998382
methyl 5-methoxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 47951627
5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19970342
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-methyl-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 3715374
N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 71943479
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122287164
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide?
The IUPAC name of 5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide (CID 15160173) is 5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide is COc1cnc(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)nc1.
What is the InChIKey of 5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide?
The InChIKey is XDGMTLKXSOXXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O5S/c1-23-8-6-17-11(18-7-8)12(20)19-25(21,22)10-5-3-2-4-9(10)24-13(14,15)16/h2-7H,1H3,(H,19,20).
What are the key properties of 5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide?
5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide has a molecular weight of 377.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide is sourced from PubChem (CID 15160173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).