(3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide

C21H20N2O3S — CID 983041

IUPAC(3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESCOc1cccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C21H20N2O3S/c1-26-18-11-7-10-17(14-18)21-22-19-12-5-6-13-20(19)27(24,25)23(21)15-16-8-3-2-4-9-16/h2-14,21-22H,15H2,1H3/t21-/m1/s1
InChIKeyXKXRDHDBSVLVFT-OAQYLSRUSA-N
MW380.47 g/mol
LogP4.01
Rot. Bonds4

About (3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide

(3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 983041) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is (3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name(3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID983041
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name(3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESCOc1cccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C21H20N2O3S/c1-26-18-11-7-10-17(14-18)21-22-19-12-5-6-13-20(19)27(24,25)23(21)15-16-8-3-2-4-9-16/h2-14,21-22H,15H2,1H3/t21-/m1/s1
InChIKeyXKXRDHDBSVLVFT-OAQYLSRUSA-N
XLogP4.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide with MolForge

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Related Compounds

2-benzyl-3-(3,4-dimethoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 4197889
(3S)-2-benzyl-3-(4-ethylphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 26987264
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542
(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006820
3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779605
4-benzyl-2-(3-methoxyphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 7246399
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
(2S)-2-(3-methoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 25351324
3-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687475
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
1-benzyl-3-(3-methoxyphenyl)azepan-2-one
CID 20565337
(4S)-6-benzyl-4-(3-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7202205

Frequently Asked Questions

What is the IUPAC name of (3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of (3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide (CID 983041) is (3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for (3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for (3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide is COc1cccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1.
What is the InChIKey of (3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is XKXRDHDBSVLVFT-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-26-18-11-7-10-17(14-18)21-22-19-12-5-6-13-20(19)27(24,25)23(21)15-16-8-3-2-4-9-16/h2-14,21-22H,15H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
(3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 380.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 983041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).