(4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C24H23NO4S — CID 134881892

IUPAC(4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C(c2ccccc2)S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H23NO4S/c1-24(2)21(18-12-6-3-7-13-18)25(23(26)29-24)22(19-14-8-4-9-15-19)30(27,28)20-16-10-5-11-17-20/h3-17,21-22H,1-2H3/t21-,22?/m1/s1
InChIKeyDGVRVWJIBBBLIV-ZMFCMNQTSA-N
MW421.52 g/mol
LogP5.13
Rot. Bonds5

About (4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134881892) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is (4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134881892
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Name(4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C(c2ccccc2)S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H23NO4S/c1-24(2)21(18-12-6-3-7-13-18)25(23(26)29-24)22(19-14-8-4-9-15-19)30(27,28)20-16-10-5-11-17-20/h3-17,21-22H,1-2H3/t21-,22?/m1/s1
InChIKeyDGVRVWJIBBBLIV-ZMFCMNQTSA-N
XLogP5.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 134881892) is (4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C(c2ccccc2)S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is DGVRVWJIBBBLIV-ZMFCMNQTSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-24(2)21(18-12-6-3-7-13-18)25(23(26)29-24)22(19-14-8-4-9-15-19)30(27,28)20-16-10-5-11-17-20/h3-17,21-22H,1-2H3/t21-,22?/m1/s1.
What are the key properties of (4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 421.52 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[benzenesulfonyl(phenyl)methyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134881892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).