3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide

C19H23N3O2S — CID 24937629

IUPAC3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESO=S1(=O)N(CCC2CCCNC2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C19H23N3O2S/c23-25(24)21(14-12-16-7-6-13-20-15-16)18-10-4-5-11-19(18)22(25)17-8-2-1-3-9-17/h1-5,8-11,16,20H,6-7,12-15H2
InChIKeyHXPJUTFPDVBIKT-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.28
Rot. Bonds4

About 3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide

3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide (PubChem CID 24937629) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide.

Molecular Properties

Compound Name3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
PubChem CID24937629
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESO=S1(=O)N(CCC2CCCNC2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C19H23N3O2S/c23-25(24)21(14-12-16-7-6-13-20-15-16)18-10-4-5-11-19(18)22(25)17-8-2-1-3-9-17/h1-5,8-11,16,20H,6-7,12-15H2
InChIKeyHXPJUTFPDVBIKT-UHFFFAOYSA-N
XLogP3.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The IUPAC name of 3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide (CID 24937629) is 3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide.
What is the SMILES notation for 3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The canonical SMILES for 3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide is O=S1(=O)N(CCC2CCCNC2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The InChIKey is HXPJUTFPDVBIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-25(24)21(14-12-16-7-6-13-20-15-16)18-10-4-5-11-19(18)22(25)17-8-2-1-3-9-17/h1-5,8-11,16,20H,6-7,12-15H2.
What are the key properties of 3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide?
3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide has a molecular weight of 357.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2-piperidin-3-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide is sourced from PubChem (CID 24937629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).