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

C15H14N2O3S2 — CID 2118309

IUPAC2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C15H14N2O3S2/c1-10-16-12-8-7-11(9-14(12)21-10)17-22(18,19)15-6-4-3-5-13(15)20-2/h3-9,17H,1-2H3
InChIKeyMOHNKWXAYBPWCP-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.41
Rot. Bonds4

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

2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide (PubChem CID 2118309) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
PubChem CID2118309
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C15H14N2O3S2/c1-10-16-12-8-7-11(9-14(12)21-10)17-22(18,19)15-6-4-3-5-13(15)20-2/h3-9,17H,1-2H3
InChIKeyMOHNKWXAYBPWCP-UHFFFAOYSA-N
XLogP3.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzenesulfonamide
CID 8603504
3-bromo-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 4816108
N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide
CID 30152972
N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfonylbenzenesulfonamide
CID 46534623
1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 8853021
N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325517
N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide
CID 143666508
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide
CID 8603510
2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 852255
3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 6918870
2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50839912
N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide
CID 59018198

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide (CID 2118309) is 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The InChIKey is MOHNKWXAYBPWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-10-16-12-8-7-11(9-14(12)21-10)17-22(18,19)15-6-4-3-5-13(15)20-2/h3-9,17H,1-2H3.
What are the key properties of 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 2118309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).