8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide

C19H15NO3S — CID 166869084

IUPAC8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)NCc2cccc(-c3ccc(-c4ccccc4)cc3)c2O1
InChIInChI=1S/C19H15NO3S/c21-24(22)20-13-17-7-4-8-18(19(17)23-24)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-12,20H,13H2
InChIKeyJCUQNENJEVRKGB-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.75
Rot. Bonds2

About 8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide

8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 166869084) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is 8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID166869084
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)NCc2cccc(-c3ccc(-c4ccccc4)cc3)c2O1
InChIInChI=1S/C19H15NO3S/c21-24(22)20-13-17-7-4-8-18(19(17)23-24)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-12,20H,13H2
InChIKeyJCUQNENJEVRKGB-UHFFFAOYSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 166869084) is 8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide is O=S1(=O)NCc2cccc(-c3ccc(-c4ccccc4)cc3)c2O1.
What is the InChIKey of 8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is JCUQNENJEVRKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c21-24(22)20-13-17-7-4-8-18(19(17)23-24)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-12,20H,13H2.
What are the key properties of 8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide has a molecular weight of 337.40 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 166869084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).