4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide

C15H13F3N2O4S — CID 47063072

IUPAC4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O4S/c1-24-12-7-6-9(14(19)21)8-11(12)20-25(22,23)13-5-3-2-4-10(13)15(16,17)18/h2-8,20H,1H3,(H2,19,21)
InChIKeySUHZNPUEPWYIMS-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.61
Rot. Bonds5

About 4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide

4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide (PubChem CID 47063072) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is 4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
PubChem CID47063072
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O4S/c1-24-12-7-6-9(14(19)21)8-11(12)20-25(22,23)13-5-3-2-4-10(13)15(16,17)18/h2-8,20H,1H3,(H2,19,21)
InChIKeySUHZNPUEPWYIMS-UHFFFAOYSA-N
XLogP2.61
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(2-methylsulfonylphenyl)sulfonylamino]benzamide
CID 55901057
methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3481209
N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26979627
N-(2-methoxydibenzofuran-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2444978
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60597504
3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide
CID 61062315
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166832
2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 61455369
3-[(5-carboxy-2-methoxyphenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 56507584
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of 4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide (CID 47063072) is 4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for 4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for 4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide is COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The InChIKey is SUHZNPUEPWYIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-24-12-7-6-9(14(19)21)8-11(12)20-25(22,23)13-5-3-2-4-10(13)15(16,17)18/h2-8,20H,1H3,(H2,19,21).
What are the key properties of 4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide has a molecular weight of 374.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 47063072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).