3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide

C16H15F3N2O5S — CID 9207030

IUPAC3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2O5S/c1-21(25-2)27(23,24)14-5-3-4-11(10-14)15(22)20-12-6-8-13(9-7-12)26-16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKeyZDMUFYBHOAVAPF-UHFFFAOYSA-N
MW404.37 g/mol
LogP3.02
Rot. Bonds6

About 3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide

3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 9207030) has the molecular formula C16H15F3N2O5S and a molecular weight of 404.37 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID9207030
Molecular FormulaC16H15F3N2O5S
Molecular Weight404.37 g/mol
Exact Mass404.07
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2O5S/c1-21(25-2)27(23,24)14-5-3-4-11(10-14)15(22)20-12-6-8-13(9-7-12)26-16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKeyZDMUFYBHOAVAPF-UHFFFAOYSA-N
XLogP3.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9191609
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
tert-butyl N-[2-fluoro-5-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]phenyl]carbamate
CID 55969313
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534346
3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 4800647
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 51204944
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075
[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate
CID 3848312
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55693616

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 9207030) is 3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is ZDMUFYBHOAVAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5S/c1-21(25-2)27(23,24)14-5-3-4-11(10-14)15(22)20-12-6-8-13(9-7-12)26-16(17,18)19/h3-10H,1-2H3,(H,20,22).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 404.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 9207030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).