2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate

C8H11NO6S3 — CID 23274983

IUPAC2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate
SMILESCC(=O)OCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C8H11NO6S3/c1-6(10)15-4-5-17(11,12)7-2-3-8(16-7)18(9,13)14/h2-3H,4-5H2,1H3,(H2,9,13,14)
InChIKeyCBCCXWBWQDCXLH-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.27
Rot. Bonds5

About 2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate

2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate (PubChem CID 23274983) has the molecular formula C8H11NO6S3 and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate.

Molecular Properties

Compound Name2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate
PubChem CID23274983
Molecular FormulaC8H11NO6S3
Molecular Weight313.38 g/mol
Exact Mass312.97
IUPAC Name2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate
SMILESCC(=O)OCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C8H11NO6S3/c1-6(10)15-4-5-17(11,12)7-2-3-8(16-7)18(9,13)14/h2-3H,4-5H2,1H3,(H2,9,13,14)
InChIKeyCBCCXWBWQDCXLH-UHFFFAOYSA-N
XLogP-0.27
TPSA120.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate?
The IUPAC name of 2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate (CID 23274983) is 2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate.
What is the SMILES notation for 2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate?
The canonical SMILES for 2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate is CC(=O)OCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate?
The InChIKey is CBCCXWBWQDCXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO6S3/c1-6(10)15-4-5-17(11,12)7-2-3-8(16-7)18(9,13)14/h2-3H,4-5H2,1H3,(H2,9,13,14).
What are the key properties of 2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate?
2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate has a molecular weight of 313.38 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-sulfamoylthiophen-2-yl)sulfonylethyl acetate is sourced from PubChem (CID 23274983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).