10-benzylphenothiazine 5,5-dioxide

C19H15NO2S — CID 13283806

IUPAC10-benzylphenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H15NO2S/c21-23(22)18-12-6-4-10-16(18)20(14-15-8-2-1-3-9-15)17-11-5-7-13-19(17)23/h1-13H,14H2
InChIKeyCGDJYJTZTAVMJX-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.17
Rot. Bonds2

About 10-benzylphenothiazine 5,5-dioxide

10-benzylphenothiazine 5,5-dioxide (PubChem CID 13283806) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 10-benzylphenothiazine 5,5-dioxide.

Molecular Properties

Compound Name10-benzylphenothiazine 5,5-dioxide
PubChem CID13283806
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name10-benzylphenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H15NO2S/c21-23(22)18-12-6-4-10-16(18)20(14-15-8-2-1-3-9-15)17-11-5-7-13-19(17)23/h1-13H,14H2
InChIKeyCGDJYJTZTAVMJX-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-benzylphenothiazine 5,5-dioxide?
The IUPAC name of 10-benzylphenothiazine 5,5-dioxide (CID 13283806) is 10-benzylphenothiazine 5,5-dioxide.
What is the SMILES notation for 10-benzylphenothiazine 5,5-dioxide?
The canonical SMILES for 10-benzylphenothiazine 5,5-dioxide is O=S1(=O)c2ccccc2N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 10-benzylphenothiazine 5,5-dioxide?
The InChIKey is CGDJYJTZTAVMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c21-23(22)18-12-6-4-10-16(18)20(14-15-8-2-1-3-9-15)17-11-5-7-13-19(17)23/h1-13H,14H2.
What are the key properties of 10-benzylphenothiazine 5,5-dioxide?
10-benzylphenothiazine 5,5-dioxide has a molecular weight of 321.40 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzylphenothiazine 5,5-dioxide is sourced from PubChem (CID 13283806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).