2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide

C21H15ClF3NO4S — CID 110077557

IUPAC2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClF3NO4S/c22-16-10-8-14(9-11-16)13-30-19-7-2-1-6-18(19)20(27)26-31(28,29)17-5-3-4-15(12-17)21(23,24)25/h1-12H,13H2,(H,26,27)
InChIKeyCJAMTEUOZVYJDC-UHFFFAOYSA-N
MW469.87 g/mol
LogP5.06
Rot. Bonds6

About 2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide

2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide (PubChem CID 110077557) has the molecular formula C21H15ClF3NO4S and a molecular weight of 469.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
PubChem CID110077557
Molecular FormulaC21H15ClF3NO4S
Molecular Weight469.87 g/mol
Exact Mass469.04
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClF3NO4S/c22-16-10-8-14(9-11-16)13-30-19-7-2-1-6-18(19)20(27)26-31(28,29)17-5-3-4-15(12-17)21(23,24)25/h1-12H,13H2,(H,26,27)
InChIKeyCJAMTEUOZVYJDC-UHFFFAOYSA-N
XLogP5.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.87
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methoxy]-N-(4-chlorophenyl)sulfonylbenzamide
CID 110161772
2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide
CID 110161776
2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide
CID 9071253
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 8500429
2-[(4-chlorophenyl)methoxy]-N-(2-methylbutan-2-yl)benzamide
CID 2115327
4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166788
(2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 118722738
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide
CID 134121314
N-(2-chlorophenyl)-2-[(4-chlorophenyl)methoxy]benzamide
CID 7947681
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide (CID 110077557) is 2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide is O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide?
The InChIKey is CJAMTEUOZVYJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3NO4S/c22-16-10-8-14(9-11-16)13-30-19-7-2-1-6-18(19)20(27)26-31(28,29)17-5-3-4-15(12-17)21(23,24)25/h1-12H,13H2,(H,26,27).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide?
2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide has a molecular weight of 469.87 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide is sourced from PubChem (CID 110077557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).