4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide

C22H19NO3S — CID 134959188

IUPAC4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESCc1ccc([C@H](CC2=NS(=O)(=O)Oc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S/c1-16-11-13-18(14-12-16)20(17-7-3-2-4-8-17)15-21-19-9-5-6-10-22(19)26-27(24,25)23-21/h2-14,20H,15H2,1H3/t20-/m1/s1
InChIKeyJOHNXXZLESXIEG-HXUWFJFHSA-N
MW377.47 g/mol
LogP4.64
Rot. Bonds4

About 4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide

4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 134959188) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID134959188
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESCc1ccc([C@H](CC2=NS(=O)(=O)Oc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S/c1-16-11-13-18(14-12-16)20(17-7-3-2-4-8-17)15-21-19-9-5-6-10-22(19)26-27(24,25)23-21/h2-14,20H,15H2,1H3/t20-/m1/s1
InChIKeyJOHNXXZLESXIEG-HXUWFJFHSA-N
XLogP4.64
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 134959188) is 4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide is Cc1ccc([C@H](CC2=NS(=O)(=O)Oc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of 4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is JOHNXXZLESXIEG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-16-11-13-18(14-12-16)20(17-7-3-2-4-8-17)15-21-19-9-5-6-10-22(19)26-27(24,25)23-21/h2-14,20H,15H2,1H3/t20-/m1/s1.
What are the key properties of 4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide?
4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide has a molecular weight of 377.47 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(4-methylphenyl)-2-phenylethyl]-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 134959188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).