3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine

C22H21NO3S — CID 102469432

IUPAC3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine
SMILESCc1ccccc1C1COC(c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21NO3S/c1-17-10-8-9-15-20(17)21-16-26-22(18-11-4-2-5-12-18)23(21)27(24,25)19-13-6-3-7-14-19/h2-15,21-22H,16H2,1H3
InChIKeyXMQGMIKXUINRFM-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.46
Rot. Bonds4

About 3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine

3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine (PubChem CID 102469432) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine
PubChem CID102469432
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine
SMILESCc1ccccc1C1COC(c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21NO3S/c1-17-10-8-9-15-20(17)21-16-26-22(18-11-4-2-5-12-18)23(21)27(24,25)19-13-6-3-7-14-19/h2-15,21-22H,16H2,1H3
InChIKeyXMQGMIKXUINRFM-UHFFFAOYSA-N
XLogP4.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine?
The IUPAC name of 3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine (CID 102469432) is 3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine.
What is the SMILES notation for 3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine?
The canonical SMILES for 3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine is Cc1ccccc1C1COC(c2ccccc2)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine?
The InChIKey is XMQGMIKXUINRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-17-10-8-9-15-20(17)21-16-26-22(18-11-4-2-5-12-18)23(21)27(24,25)19-13-6-3-7-14-19/h2-15,21-22H,16H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine?
3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine has a molecular weight of 379.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine is sourced from PubChem (CID 102469432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).