3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide

C16H15F3N2O4S — CID 33370284

IUPAC3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2OCC(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O4S/c1-26(23,24)21-12-6-4-5-11(9-12)15(22)20-13-7-2-3-8-14(13)25-10-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyROLALENLVXIUJO-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.25
Rot. Bonds6

About 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide

3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 33370284) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID33370284
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Name3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2OCC(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O4S/c1-26(23,24)21-12-6-4-5-11(9-12)15(22)20-13-7-2-3-8-14(13)25-10-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyROLALENLVXIUJO-UHFFFAOYSA-N
XLogP3.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829726
5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55776153
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 1020106
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55508199
6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 41369460
3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 24599016
3-(2,2-dimethylpropanoylamino)-N-(2-ethoxyphenyl)benzamide
CID 35339665
N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
CID 18106096
methyl 3-[[2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]benzoate
CID 25331588

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 33370284) is 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide is CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2OCC(F)(F)F)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is ROLALENLVXIUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-26(23,24)21-12-6-4-5-11(9-12)15(22)20-13-7-2-3-8-14(13)25-10-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22).
What are the key properties of 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 388.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 33370284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).