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

C10H12N2O3S2 — CID 849618

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide
SMILESCCOc1ccc2nc(NS(C)(=O)=O)sc2c1
InChIInChI=1S/C10H12N2O3S2/c1-3-15-7-4-5-8-9(6-7)16-10(11-8)12-17(2,13)14/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyCGPKWZNFPHIUHF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds4

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide (PubChem CID 849618) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide
PubChem CID849618
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide
SMILESCCOc1ccc2nc(NS(C)(=O)=O)sc2c1
InChIInChI=1S/C10H12N2O3S2/c1-3-15-7-4-5-8-9(6-7)16-10(11-8)12-17(2,13)14/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyCGPKWZNFPHIUHF-UHFFFAOYSA-N
XLogP2.07
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Ethoxzolamide
CID 3295
Riluzole
CID 5070
Diamthazole
CID 8708
2-Amino-6-methoxybenzothiazole
CID 15630
Frentizole
CID 33334
Tioxidazole
CID 72157
4-Methoxy-2-aminobenzothiazole
CID 21622
5-Methoxy-2-benzothiazolamine
CID 41055
10,13-Dioxa-4-thia-6-azatricyclo(7.4.0.0,3,7)trideca-1(9),2,5,7-tetraen-5-amine
CID 771615
Amino-6-ethoxybenzothiazole, 2-
CID 7192
6-(Benzyloxy)-1,3-benzothiazole-2-sulfonamide
CID 23275795
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide (CID 849618) is N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide is CCOc1ccc2nc(NS(C)(=O)=O)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide?
The InChIKey is CGPKWZNFPHIUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c1-3-15-7-4-5-8-9(6-7)16-10(11-8)12-17(2,13)14/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide has a molecular weight of 272.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 849618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).