6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide

C15H13NO3S — CID 134907954

IUPAC6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)N=C2c1ccc(C)cc1
InChIInChI=1S/C15H13NO3S/c1-10-3-5-11(6-4-10)15-13-8-7-12(19-2)9-14(13)20(17,18)16-15/h3-9H,1-2H3
InChIKeyOTYYEQDLOGJNBB-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.54
Rot. Bonds2

About 6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide

6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide (PubChem CID 134907954) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide
PubChem CID134907954
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)N=C2c1ccc(C)cc1
InChIInChI=1S/C15H13NO3S/c1-10-3-5-11(6-4-10)15-13-8-7-12(19-2)9-14(13)20(17,18)16-15/h3-9H,1-2H3
InChIKeyOTYYEQDLOGJNBB-UHFFFAOYSA-N
XLogP2.54
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide (CID 134907954) is 6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide is COc1ccc2c(c1)S(=O)(=O)N=C2c1ccc(C)cc1.
What is the InChIKey of 6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide?
The InChIKey is OTYYEQDLOGJNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-10-3-5-11(6-4-10)15-13-8-7-12(19-2)9-14(13)20(17,18)16-15/h3-9H,1-2H3.
What are the key properties of 6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide?
6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide has a molecular weight of 287.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methylphenyl)-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 134907954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).