4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide

C11H13F3N2O4S — CID 18105723

IUPAC4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)ccc1OC
InChIInChI=1S/C11H13F3N2O4S/c1-15-21(18,19)9-5-7(3-4-8(9)20-2)10(17)16-6-11(12,13)14/h3-5,15H,6H2,1-2H3,(H,16,17)
InChIKeyIWAPNSCEKIRVHJ-UHFFFAOYSA-N
MW326.30 g/mol
LogP0.90
Rot. Bonds5

About 4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide

4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 18105723) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is 4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID18105723
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC Name4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)ccc1OC
InChIInChI=1S/C11H13F3N2O4S/c1-15-21(18,19)9-5-7(3-4-8(9)20-2)10(17)16-6-11(12,13)14/h3-5,15H,6H2,1-2H3,(H,16,17)
InChIKeyIWAPNSCEKIRVHJ-UHFFFAOYSA-N
XLogP0.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119432718
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 27514427
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 40742236
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide
CID 34758523
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 60555111
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
4-methoxy-3-(methylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700507

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 18105723) is 4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)ccc1OC.
What is the InChIKey of 4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IWAPNSCEKIRVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c1-15-21(18,19)9-5-7(3-4-8(9)20-2)10(17)16-6-11(12,13)14/h3-5,15H,6H2,1-2H3,(H,16,17).
What are the key properties of 4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 326.30 g/mol, XLogP of 0.90, 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-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 18105723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).