2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide

C15H14N2O3S3 — CID 2086446

IUPAC2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2nc(SC)sc2c1
InChIInChI=1S/C15H14N2O3S3/c1-20-12-5-3-4-6-14(12)23(18,19)17-10-7-8-11-13(9-10)22-15(16-11)21-2/h3-9,17H,1-2H3
InChIKeyQIAHNGXBSVJSRM-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.83
Rot. Bonds5

About 2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide

2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide (PubChem CID 2086446) has the molecular formula C15H14N2O3S3 and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide
PubChem CID2086446
Molecular FormulaC15H14N2O3S3
Molecular Weight366.49 g/mol
Exact Mass366.02
IUPAC Name2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2nc(SC)sc2c1
InChIInChI=1S/C15H14N2O3S3/c1-20-12-5-3-4-6-14(12)23(18,19)17-10-7-8-11-13(9-10)22-15(16-11)21-2/h3-9,17H,1-2H3
InChIKeyQIAHNGXBSVJSRM-UHFFFAOYSA-N
XLogP3.83
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide (CID 2086446) is 2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2nc(SC)sc2c1.
What is the InChIKey of 2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The InChIKey is QIAHNGXBSVJSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S3/c1-20-12-5-3-4-6-14(12)23(18,19)17-10-7-8-11-13(9-10)22-15(16-11)21-2/h3-9,17H,1-2H3.
What are the key properties of 2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide has a molecular weight of 366.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 2086446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).