(3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C21H19ClN2O2S — CID 51421297

IUPAC(3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1CCc1ccccc1
InChIInChI=1S/C21H19ClN2O2S/c22-18-12-10-17(11-13-18)21-23-19-8-4-5-9-20(19)27(25,26)24(21)15-14-16-6-2-1-3-7-16/h1-13,21,23H,14-15H2/t21-/m1/s1
InChIKeyWSRQFGRXCBHQAD-OAQYLSRUSA-N
MW398.92 g/mol
LogP4.70
Rot. Bonds4

About (3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

(3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 51421297) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID51421297
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC Name(3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1CCc1ccccc1
InChIInChI=1S/C21H19ClN2O2S/c22-18-12-10-17(11-13-18)21-23-19-8-4-5-9-20(19)27(25,26)24(21)15-14-16-6-2-1-3-7-16/h1-13,21,23H,14-15H2/t21-/m1/s1
InChIKeyWSRQFGRXCBHQAD-OAQYLSRUSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-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 (3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 51421297) is (3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1CCc1ccccc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is WSRQFGRXCBHQAD-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c22-18-12-10-17(11-13-18)21-23-19-8-4-5-9-20(19)27(25,26)24(21)15-14-16-6-2-1-3-7-16/h1-13,21,23H,14-15H2/t21-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
(3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 398.92 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 51421297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).