3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide

C19H23FN2O5S — CID 46071168

IUPAC3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1ccc(C2C(S(=O)(=O)NCc3ccc(F)cc3)CON2C)cc1OC
InChIInChI=1S/C19H23FN2O5S/c1-22-19(14-6-9-16(25-2)17(10-14)26-3)18(12-27-22)28(23,24)21-11-13-4-7-15(20)8-5-13/h4-10,18-19,21H,11-12H2,1-3H3
InChIKeyVIRCDNLABVZNRG-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.25
Rot. Bonds7

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

3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide (PubChem CID 46071168) has the molecular formula C19H23FN2O5S and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide
PubChem CID46071168
Molecular FormulaC19H23FN2O5S
Molecular Weight410.47 g/mol
Exact Mass410.13
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1ccc(C2C(S(=O)(=O)NCc3ccc(F)cc3)CON2C)cc1OC
InChIInChI=1S/C19H23FN2O5S/c1-22-19(14-6-9-16(25-2)17(10-14)26-3)18(12-27-22)28(23,24)21-11-13-4-7-15(20)8-5-13/h4-10,18-19,21H,11-12H2,1-3H3
InChIKeyVIRCDNLABVZNRG-UHFFFAOYSA-N
XLogP2.25
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide (CID 46071168) is 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide is COc1ccc(C2C(S(=O)(=O)NCc3ccc(F)cc3)CON2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is VIRCDNLABVZNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O5S/c1-22-19(14-6-9-16(25-2)17(10-14)26-3)18(12-27-22)28(23,24)21-11-13-4-7-15(20)8-5-13/h4-10,18-19,21H,11-12H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide?
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 410.47 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46071168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).