3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine

C17H19NO3S — CID 23791828

IUPAC3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine
SMILESCC1OC(C)(c2ccccc2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-14-18(22(19,20)16-11-7-4-8-12-16)13-17(2,21-14)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyKFEWMFFHERHEIV-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.97
Rot. Bonds3

About 3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine

3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine (PubChem CID 23791828) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine
PubChem CID23791828
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine
SMILESCC1OC(C)(c2ccccc2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-14-18(22(19,20)16-11-7-4-8-12-16)13-17(2,21-14)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyKFEWMFFHERHEIV-UHFFFAOYSA-N
XLogP2.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of 3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine (CID 23791828) is 3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for 3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for 3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine is CC1OC(C)(c2ccccc2)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine?
The InChIKey is KFEWMFFHERHEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-14-18(22(19,20)16-11-7-4-8-12-16)13-17(2,21-14)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine?
3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine has a molecular weight of 317.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 23791828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).