6-ethoxy-1,3-benzothiazole-2-sulfonamide

C9H10N2O3S2 — CID 3295

💊View drug profile → ethoxzolamide
IUPAC6-ethoxy-1,3-benzothiazole-2-sulfonamide
SMILESCCOc1ccc2nc(S(N)(=O)=O)sc2c1
InChIInChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
InChIKeyOUZWUKMCLIBBOG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds3

About 6-ethoxy-1,3-benzothiazole-2-sulfonamide

6-ethoxy-1,3-benzothiazole-2-sulfonamide (PubChem CID 3295) has the molecular formula C9H10N2O3S2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-ethoxy-1,3-benzothiazole-2-sulfonamide.

Molecular Properties

Compound Name6-ethoxy-1,3-benzothiazole-2-sulfonamide
PubChem CID3295
Molecular FormulaC9H10N2O3S2
Molecular Weight258.32 g/mol
Exact Mass258.01
IUPAC Name6-ethoxy-1,3-benzothiazole-2-sulfonamide
SMILESCCOc1ccc2nc(S(N)(=O)=O)sc2c1
InChIInChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
InChIKeyOUZWUKMCLIBBOG-UHFFFAOYSA-N
XLogP1.34
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-1,3-benzothiazole-2-sulfonamide 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

2-Amino-6-methoxybenzothiazole
CID 15630
Tioxidazole
CID 72157
2-(Phenoxymethyl)-1,3-benzothiazole
CID 700590
Amino-6-ethoxybenzothiazole, 2-
CID 7192
6-Hydroxy-1,3-benzothiazole-2-sulfonamide
CID 6852129
6-Phenoxybenzo[d]thiazol-2-amine
CID 2344996
6-Methoxy-2-methylbenzothiazole
CID 76254
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-octane-1-sulfonic acid 2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethyl ester
CID 10842801
6-(Benzyloxy)-1,3-benzothiazole-2-sulfonamide
CID 23275795
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2118309
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide
CID 2568857
2-Chloro-6-ethoxybenzo[d]thiazole
CID 350015

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1,3-benzothiazole-2-sulfonamide?
The IUPAC name of 6-ethoxy-1,3-benzothiazole-2-sulfonamide (CID 3295) is 6-ethoxy-1,3-benzothiazole-2-sulfonamide.
What is the SMILES notation for 6-ethoxy-1,3-benzothiazole-2-sulfonamide?
The canonical SMILES for 6-ethoxy-1,3-benzothiazole-2-sulfonamide is CCOc1ccc2nc(S(N)(=O)=O)sc2c1.
What is the InChIKey of 6-ethoxy-1,3-benzothiazole-2-sulfonamide?
The InChIKey is OUZWUKMCLIBBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13).
What are the key properties of 6-ethoxy-1,3-benzothiazole-2-sulfonamide?
6-ethoxy-1,3-benzothiazole-2-sulfonamide has a molecular weight of 258.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,3-benzothiazole-2-sulfonamide is sourced from PubChem (CID 3295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).