N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C15H13F3N2O4S — CID 33101820

IUPACN-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCONC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2O4S/c1-24-19-14(21)10-4-2-7-13(8-10)25(22,23)20-12-6-3-5-11(9-12)15(16,17)18/h2-9,20H,1H3,(H,19,21)
InChIKeyUUPKTWMXYPNJLJ-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.80
Rot. Bonds5

About N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 33101820) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID33101820
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC NameN-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCONC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2O4S/c1-24-19-14(21)10-4-2-7-13(8-10)25(22,23)20-12-6-3-5-11(9-12)15(16,17)18/h2-9,20H,1H3,(H,19,21)
InChIKeyUUPKTWMXYPNJLJ-UHFFFAOYSA-N
XLogP2.80
TPSA84.50 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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26796911
3-[(3,3-dimethylbutanoylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 24541072
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206
N-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
CID 55529114
N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25346546
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
3-[[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 25391204
3-[[(2,5-dimethoxyphenyl)sulfonylamino]carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 24684528
3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2084455
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 41250993
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 3458292

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 33101820) is N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is CONC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is UUPKTWMXYPNJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-24-19-14(21)10-4-2-7-13(8-10)25(22,23)20-12-6-3-5-11(9-12)15(16,17)18/h2-9,20H,1H3,(H,19,21).
What are the key properties of N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 374.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 33101820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).