8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide

C20H17NO4S — CID 166869060

IUPAC8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESCOc1ccc(-c2ccc(-c3cccc4c3OS(=O)(=O)NC4)cc2)cc1
InChIInChI=1S/C20H17NO4S/c1-24-18-11-9-15(10-12-18)14-5-7-16(8-6-14)19-4-2-3-17-13-21-26(22,23)25-20(17)19/h2-12,21H,13H2,1H3
InChIKeyJLIBHLFZBYFNMK-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.76
Rot. Bonds3

About 8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide

8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 166869060) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID166869060
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESCOc1ccc(-c2ccc(-c3cccc4c3OS(=O)(=O)NC4)cc2)cc1
InChIInChI=1S/C20H17NO4S/c1-24-18-11-9-15(10-12-18)14-5-7-16(8-6-14)19-4-2-3-17-13-21-26(22,23)25-20(17)19/h2-12,21H,13H2,1H3
InChIKeyJLIBHLFZBYFNMK-UHFFFAOYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 166869060) is 8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide is COc1ccc(-c2ccc(-c3cccc4c3OS(=O)(=O)NC4)cc2)cc1.
What is the InChIKey of 8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is JLIBHLFZBYFNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-24-18-11-9-15(10-12-18)14-5-7-16(8-6-14)19-4-2-3-17-13-21-26(22,23)25-20(17)19/h2-12,21H,13H2,1H3.
What are the key properties of 8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide has a molecular weight of 367.43 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-methoxyphenyl)phenyl]-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 166869060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).