1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide

C22H20F3NO5S — CID 54499915

IUPAC1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CN(c2cc(O)ccc2OCc2ccccc2)S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C22H20F3NO5S/c1-30-19-10-7-16(8-11-19)14-26(32(28,29)22(23,24)25)20-13-18(27)9-12-21(20)31-15-17-5-3-2-4-6-17/h2-13,27H,14-15H2,1H3
InChIKeyYBRXTSGYWOPNFD-UHFFFAOYSA-N
MW467.47 g/mol
LogP4.84
Rot. Bonds8

About 1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide

1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 54499915) has the molecular formula C22H20F3NO5S and a molecular weight of 467.47 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide
PubChem CID54499915
Molecular FormulaC22H20F3NO5S
Molecular Weight467.47 g/mol
Exact Mass467.10
IUPAC Name1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CN(c2cc(O)ccc2OCc2ccccc2)S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C22H20F3NO5S/c1-30-19-10-7-16(8-11-19)14-26(32(28,29)22(23,24)25)20-13-18(27)9-12-21(20)31-15-17-5-3-2-4-6-17/h2-13,27H,14-15H2,1H3
InChIKeyYBRXTSGYWOPNFD-UHFFFAOYSA-N
XLogP4.84
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide (CID 54499915) is 1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide is COc1ccc(CN(c2cc(O)ccc2OCc2ccccc2)S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is YBRXTSGYWOPNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO5S/c1-30-19-10-7-16(8-11-19)14-26(32(28,29)22(23,24)25)20-13-18(27)9-12-21(20)31-15-17-5-3-2-4-6-17/h2-13,27H,14-15H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 467.47 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 54499915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).