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

C13H12N2O3S3 — CID 977483

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESCCOc1ccc2nc(NS(=O)(=O)c3cccs3)sc2c1
InChIInChI=1S/C13H12N2O3S3/c1-2-18-9-5-6-10-11(8-9)20-13(14-10)15-21(16,17)12-4-3-7-19-12/h3-8H,2H2,1H3,(H,14,15)
InChIKeyOVBXVFMPVZOVCL-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.56
Rot. Bonds5

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 977483) has the molecular formula C13H12N2O3S3 and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
PubChem CID977483
Molecular FormulaC13H12N2O3S3
Molecular Weight340.45 g/mol
Exact Mass340.00
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESCCOc1ccc2nc(NS(=O)(=O)c3cccs3)sc2c1
InChIInChI=1S/C13H12N2O3S3/c1-2-18-9-5-6-10-11(8-9)20-13(14-10)15-21(16,17)12-4-3-7-19-12/h3-8H,2H2,1H3,(H,14,15)
InChIKeyOVBXVFMPVZOVCL-UHFFFAOYSA-N
XLogP3.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (CID 977483) is N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is CCOc1ccc2nc(NS(=O)(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is OVBXVFMPVZOVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S3/c1-2-18-9-5-6-10-11(8-9)20-13(14-10)15-21(16,17)12-4-3-7-19-12/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 977483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).