2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide

C15H15NO2S — CID 510578

IUPAC2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide
SMILESCc1cccc(C2c3ccccc3S(=O)(=O)N2C)c1
InChIInChI=1S/C15H15NO2S/c1-11-6-5-7-12(10-11)15-13-8-3-4-9-14(13)19(17,18)16(15)2/h3-10,15H,1-2H3
InChIKeyLSHSVNWLNQMKLF-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.72
Rot. Bonds1

About 2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide

2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide (PubChem CID 510578) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide
PubChem CID510578
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide
SMILESCc1cccc(C2c3ccccc3S(=O)(=O)N2C)c1
InChIInChI=1S/C15H15NO2S/c1-11-6-5-7-12(10-11)15-13-8-3-4-9-14(13)19(17,18)16(15)2/h3-10,15H,1-2H3
InChIKeyLSHSVNWLNQMKLF-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide (CID 510578) is 2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide is Cc1cccc(C2c3ccccc3S(=O)(=O)N2C)c1.
What is the InChIKey of 2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide?
The InChIKey is LSHSVNWLNQMKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-11-6-5-7-12(10-11)15-13-8-3-4-9-14(13)19(17,18)16(15)2/h3-10,15H,1-2H3.
What are the key properties of 2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide?
2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide has a molecular weight of 273.36 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylphenyl)-3H-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 510578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).