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

C20H23F3N2O4S — CID 46071110

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)C1CON(C)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O4S/c1-25-19(15-7-9-16(10-8-15)20(21,22)23)18(13-29-25)30(26,27)24-12-11-14-5-3-4-6-17(14)28-2/h3-10,18-19,24H,11-13H2,1-2H3
InChIKeyOFYGUPLPQAKTTG-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.16
Rot. Bonds7

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

N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide (PubChem CID 46071110) has the molecular formula C20H23F3N2O4S and a molecular weight of 444.48 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
PubChem CID46071110
Molecular FormulaC20H23F3N2O4S
Molecular Weight444.48 g/mol
Exact Mass444.13
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)C1CON(C)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O4S/c1-25-19(15-7-9-16(10-8-15)20(21,22)23)18(13-29-25)30(26,27)24-12-11-14-5-3-4-6-17(14)28-2/h3-10,18-19,24H,11-13H2,1-2H3
InChIKeyOFYGUPLPQAKTTG-UHFFFAOYSA-N
XLogP3.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide (CID 46071110) is N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide is COc1ccccc1CCNS(=O)(=O)C1CON(C)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The InChIKey is OFYGUPLPQAKTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O4S/c1-25-19(15-7-9-16(10-8-15)20(21,22)23)18(13-29-25)30(26,27)24-12-11-14-5-3-4-6-17(14)28-2/h3-10,18-19,24H,11-13H2,1-2H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide has a molecular weight of 444.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46071110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).