2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C23H24N2O3S — CID 4224813

IUPAC2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCCOc1ccc(C2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-2-16-28-20-14-12-19(13-15-20)23-24-21-10-6-7-11-22(21)29(26,27)25(23)17-18-8-4-3-5-9-18/h3-15,23-24H,2,16-17H2,1H3
InChIKeyVCHBRQAKDFFHRI-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.79
Rot. Bonds6

About 2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 4224813) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID4224813
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCCOc1ccc(C2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-2-16-28-20-14-12-19(13-15-20)23-24-21-10-6-7-11-22(21)29(26,27)25(23)17-18-8-4-3-5-9-18/h3-15,23-24H,2,16-17H2,1H3
InChIKeyVCHBRQAKDFFHRI-UHFFFAOYSA-N
XLogP4.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 4224813) is 2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCCOc1ccc(C2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is VCHBRQAKDFFHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-2-16-28-20-14-12-19(13-15-20)23-24-21-10-6-7-11-22(21)29(26,27)25(23)17-18-8-4-3-5-9-18/h3-15,23-24H,2,16-17H2,1H3.
What are the key properties of 2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 408.52 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 4224813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).