2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide

C15H14N2O2S2 — CID 571521

IUPAC2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2s1
InChIInChI=1S/C15H14N2O2S2/c1-10-5-3-4-6-13(10)17-21(18,19)12-7-8-14-15(9-12)20-11(2)16-14/h3-9,17H,1-2H3
InChIKeyCIMUQKOSEASWHO-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.71
Rot. Bonds3

About 2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide

2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide (PubChem CID 571521) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide
PubChem CID571521
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2s1
InChIInChI=1S/C15H14N2O2S2/c1-10-5-3-4-6-13(10)17-21(18,19)12-7-8-14-15(9-12)20-11(2)16-14/h3-9,17H,1-2H3
InChIKeyCIMUQKOSEASWHO-UHFFFAOYSA-N
XLogP3.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide (CID 571521) is 2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide is Cc1nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2s1.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide?
The InChIKey is CIMUQKOSEASWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-10-5-3-4-6-13(10)17-21(18,19)12-7-8-14-15(9-12)20-11(2)16-14/h3-9,17H,1-2H3.
What are the key properties of 2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide?
2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide has a molecular weight of 318.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 571521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).