4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide

C16H15F3N2O4S — CID 40742205

IUPAC4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC
InChIInChI=1S/C16H15F3N2O4S/c1-20-26(23,24)14-9-10(3-8-13(14)25-2)15(22)21-12-6-4-11(5-7-12)16(17,18)19/h3-9,20H,1-2H3,(H,21,22)
InChIKeyLOWIMGBNMDSFKJ-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.87
Rot. Bonds5

About 4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide

4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 40742205) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is 4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID40742205
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Name4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC
InChIInChI=1S/C16H15F3N2O4S/c1-20-26(23,24)14-9-10(3-8-13(14)25-2)15(22)21-12-6-4-11(5-7-12)16(17,18)19/h3-9,20H,1-2H3,(H,21,22)
InChIKeyLOWIMGBNMDSFKJ-UHFFFAOYSA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(methylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700507
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742199
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4312419
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide
CID 100795505
4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18892400
4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 28557684
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 141401916
N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 18147880

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 40742205) is 4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide is CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC.
What is the InChIKey of 4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is LOWIMGBNMDSFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-20-26(23,24)14-9-10(3-8-13(14)25-2)15(22)21-12-6-4-11(5-7-12)16(17,18)19/h3-9,20H,1-2H3,(H,21,22).
What are the key properties of 4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 388.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 40742205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).