4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide

C14H12N2O2S — CID 2137928

IUPAC4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C14H12N2O2S/c17-19(18)14-9-5-4-8-13(14)16(11-15-19)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyRLNUFLISUNERNZ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.42
Rot. Bonds2

About 4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide

4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 2137928) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID2137928
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C14H12N2O2S/c17-19(18)14-9-5-4-8-13(14)16(11-15-19)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyRLNUFLISUNERNZ-UHFFFAOYSA-N
XLogP2.42
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide (CID 2137928) is 4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is RLNUFLISUNERNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-19(18)14-9-5-4-8-13(14)16(11-15-19)10-12-6-2-1-3-7-12/h1-9,11H,10H2.
What are the key properties of 4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 272.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 2137928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).