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

C9H10N2O2S3 — CID 142682315

IUPAC2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
SMILESCCSc1nc2ccc(S(N)(=O)=O)cc2s1
InChIInChI=1S/C9H10N2O2S3/c1-2-14-9-11-7-4-3-6(16(10,12)13)5-8(7)15-9/h3-5H,2H2,1H3,(H2,10,12,13)
InChIKeyCUAKYTYGXRUZOR-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.06
Rot. Bonds3

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

2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide (PubChem CID 142682315) has the molecular formula C9H10N2O2S3 and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound Name2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
PubChem CID142682315
Molecular FormulaC9H10N2O2S3
Molecular Weight274.39 g/mol
Exact Mass273.99
IUPAC Name2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
SMILESCCSc1nc2ccc(S(N)(=O)=O)cc2s1
InChIInChI=1S/C9H10N2O2S3/c1-2-14-9-11-7-4-3-6(16(10,12)13)5-8(7)15-9/h3-5H,2H2,1H3,(H2,10,12,13)
InChIKeyCUAKYTYGXRUZOR-UHFFFAOYSA-N
XLogP2.06
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethylsulfanyl-1,3-benzothiazole-6-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-ethylsulfanyl-N-(3-methylbutyl)-1,3-benzothiazole-6-sulfonamide
CID 142682349
2-ethylsulfanyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 142682269
N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682357
2-ethylsulfanyl-6-methyl-1,3-benzothiazole
CID 119093087
N-[2,6-di(propan-2-yl)phenyl]-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682262
N-(4-chloro-2-fluorophenyl)-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682266
N-[2-(3-chlorophenyl)ethyl]-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682318
2-ethylsulfanyl-N-[2-(2-fluorophenyl)ethyl]-1,3-benzothiazole-6-sulfonamide
CID 142682317
N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 50840019
(2R)-3-methyl-2-[(2-propylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid
CID 10200307
1-(3,5-difluorophenyl)-N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)methanesulfonamide
CID 50839709
N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide
CID 50839994

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of 2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide (CID 142682315) is 2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for 2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for 2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide is CCSc1nc2ccc(S(N)(=O)=O)cc2s1.
What is the InChIKey of 2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide?
The InChIKey is CUAKYTYGXRUZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S3/c1-2-14-9-11-7-4-3-6(16(10,12)13)5-8(7)15-9/h3-5H,2H2,1H3,(H2,10,12,13).
What are the key properties of 2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide?
2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 142682315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).