7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide

C15H15NO3S — CID 166874124

IUPAC7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide
SMILESCOc1ccc(-c2ccc3c(c2)OS(=O)NC3C)cc1
InChIInChI=1S/C15H15NO3S/c1-10-14-8-5-12(9-15(14)19-20(17)16-10)11-3-6-13(18-2)7-4-11/h3-10,16H,1-2H3
InChIKeyDDIKGGDZGWFKDW-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.98
Rot. Bonds2

About 7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide

7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide (PubChem CID 166874124) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide
PubChem CID166874124
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide
SMILESCOc1ccc(-c2ccc3c(c2)OS(=O)NC3C)cc1
InChIInChI=1S/C15H15NO3S/c1-10-14-8-5-12(9-15(14)19-20(17)16-10)11-3-6-13(18-2)7-4-11/h3-10,16H,1-2H3
InChIKeyDDIKGGDZGWFKDW-UHFFFAOYSA-N
XLogP2.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 69455047
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911
3,3-dibromo-7-(4-methoxyphenyl)-2H-chromen-4-one
CID 69402758
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
6-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 20500036
1-methoxy-5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 155221844
3-amino-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82098987
2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole
CID 21408740
3-(4-methoxyphenyl)-5-sulfinyldithiole
CID 15066987

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide?
The IUPAC name of 7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide (CID 166874124) is 7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide.
What is the SMILES notation for 7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide?
The canonical SMILES for 7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide is COc1ccc(-c2ccc3c(c2)OS(=O)NC3C)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide?
The InChIKey is DDIKGGDZGWFKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10-14-8-5-12(9-15(14)19-20(17)16-10)11-3-6-13(18-2)7-4-11/h3-10,16H,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide?
7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide has a molecular weight of 289.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide is sourced from PubChem (CID 166874124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).