(2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane

C19H19F3O3S — CID 139047866

IUPAC(2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane
SMILESCc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C)O[C@@H]2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3O3S/c1-12-3-9-16(10-4-12)26(23,24)17-11-13(2)25-18(17)14-5-7-15(8-6-14)19(20,21)22/h3-10,13,17-18H,11H2,1-2H3/t13-,17-,18-/m1/s1
InChIKeyACWZOMYOKSXJHK-FSPWUOQZSA-N
MW384.42 g/mol
LogP4.71
Rot. Bonds3

About (2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane

(2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane (PubChem CID 139047866) has the molecular formula C19H19F3O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is (2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane.

Molecular Properties

Compound Name(2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane
PubChem CID139047866
Molecular FormulaC19H19F3O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC Name(2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane
SMILESCc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C)O[C@@H]2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3O3S/c1-12-3-9-16(10-4-12)26(23,24)17-11-13(2)25-18(17)14-5-7-15(8-6-14)19(20,21)22/h3-10,13,17-18H,11H2,1-2H3/t13-,17-,18-/m1/s1
InChIKeyACWZOMYOKSXJHK-FSPWUOQZSA-N
XLogP4.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane?
The IUPAC name of (2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane (CID 139047866) is (2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane.
What is the SMILES notation for (2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane?
The canonical SMILES for (2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane is Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C)O[C@@H]2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane?
The InChIKey is ACWZOMYOKSXJHK-FSPWUOQZSA-N. The full InChI is InChI=1S/C19H19F3O3S/c1-12-3-9-16(10-4-12)26(23,24)17-11-13(2)25-18(17)14-5-7-15(8-6-14)19(20,21)22/h3-10,13,17-18H,11H2,1-2H3/t13-,17-,18-/m1/s1.
What are the key properties of (2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane?
(2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane has a molecular weight of 384.42 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane is sourced from PubChem (CID 139047866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).