N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide

C9H10N2O2S2 — CID 670301

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide
SMILESCc1ccc2nc(NS(C)(=O)=O)sc2c1
InChIInChI=1S/C9H10N2O2S2/c1-6-3-4-7-8(5-6)14-9(10-7)11-15(2,12)13/h3-5H,1-2H3,(H,10,11)
InChIKeyVZKONKADGOAYGR-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.98
Rot. Bonds2

About N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide

N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide (PubChem CID 670301) has the molecular formula C9H10N2O2S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide
PubChem CID670301
Molecular FormulaC9H10N2O2S2
Molecular Weight242.32 g/mol
Exact Mass242.02
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide
SMILESCc1ccc2nc(NS(C)(=O)=O)sc2c1
InChIInChI=1S/C9H10N2O2S2/c1-6-3-4-7-8(5-6)14-9(10-7)11-15(2,12)13/h3-5H,1-2H3,(H,10,11)
InChIKeyVZKONKADGOAYGR-UHFFFAOYSA-N
XLogP1.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide (CID 670301) is N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide is Cc1ccc2nc(NS(C)(=O)=O)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide?
The InChIKey is VZKONKADGOAYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S2/c1-6-3-4-7-8(5-6)14-9(10-7)11-15(2,12)13/h3-5H,1-2H3,(H,10,11).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide?
N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide has a molecular weight of 242.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 670301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).