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

C21H15F4NO4S — CID 110166788

IUPAC4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C21H15F4NO4S/c22-19-7-2-1-4-15(19)13-30-17-10-8-14(9-11-17)20(27)26-31(28,29)18-6-3-5-16(12-18)21(23,24)25/h1-12H,13H2,(H,26,27)
InChIKeyBFBVQNANLRBKND-UHFFFAOYSA-N
MW453.41 g/mol
LogP4.54
Rot. Bonds6

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

4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide (PubChem CID 110166788) has the molecular formula C21H15F4NO4S and a molecular weight of 453.41 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
PubChem CID110166788
Molecular FormulaC21H15F4NO4S
Molecular Weight453.41 g/mol
Exact Mass453.07
IUPAC Name4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C21H15F4NO4S/c22-19-7-2-1-4-15(19)13-30-17-10-8-14(9-11-17)20(27)26-31(28,29)18-6-3-5-16(12-18)21(23,24)25/h1-12H,13H2,(H,26,27)
InChIKeyBFBVQNANLRBKND-UHFFFAOYSA-N
XLogP4.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 8500429
4-[(2-fluorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111432867
2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110077557
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4311594
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3781688
4-methyl-3-pyrrol-1-yl-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166762
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46065628
5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide
CID 134121314
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6129619
3-methyl-4-pyrrol-1-yl-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166763
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide (CID 110166788) is 4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide is O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide?
The InChIKey is BFBVQNANLRBKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4NO4S/c22-19-7-2-1-4-15(19)13-30-17-10-8-14(9-11-17)20(27)26-31(28,29)18-6-3-5-16(12-18)21(23,24)25/h1-12H,13H2,(H,26,27).
What are the key properties of 4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide?
4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide has a molecular weight of 453.41 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide is sourced from PubChem (CID 110166788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).