3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide

C20H23F3N2O5S — CID 42869544

IUPAC3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide
SMILESCOc1ccc(OC)c(C2C(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)CON2C)c1
InChIInChI=1S/C20H23F3N2O5S/c1-25-19(16-10-15(28-2)7-8-17(16)29-3)18(12-30-25)31(26,27)24-11-13-5-4-6-14(9-13)20(21,22)23/h4-10,18-19,24H,11-12H2,1-3H3
InChIKeyVENHNBJOLQKZGX-UHFFFAOYSA-N
MW460.47 g/mol
LogP3.13
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide

3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide (PubChem CID 42869544) has the molecular formula C20H23F3N2O5S and a molecular weight of 460.47 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide
PubChem CID42869544
Molecular FormulaC20H23F3N2O5S
Molecular Weight460.47 g/mol
Exact Mass460.13
IUPAC Name3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide
SMILESCOc1ccc(OC)c(C2C(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)CON2C)c1
InChIInChI=1S/C20H23F3N2O5S/c1-25-19(16-10-15(28-2)7-8-17(16)29-3)18(12-30-25)31(26,27)24-11-13-5-4-6-14(9-13)20(21,22)23/h4-10,18-19,24H,11-12H2,1-3H3
InChIKeyVENHNBJOLQKZGX-UHFFFAOYSA-N
XLogP3.13
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide (CID 42869544) is 3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide is COc1ccc(OC)c(C2C(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)CON2C)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide?
The InChIKey is VENHNBJOLQKZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O5S/c1-25-19(16-10-15(28-2)7-8-17(16)29-3)18(12-30-25)31(26,27)24-11-13-5-4-6-14(9-13)20(21,22)23/h4-10,18-19,24H,11-12H2,1-3H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide?
3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide has a molecular weight of 460.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42869544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).