4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid

C8H9NO4S2 — CID 170483637

IUPAC4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid
SMILESNS(=O)(=O)c1ccc(C=CCC(=O)O)s1
InChIInChI=1S/C8H9NO4S2/c9-15(12,13)8-5-4-6(14-8)2-1-3-7(10)11/h1-2,4-5H,3H2,(H,10,11)(H2,9,12,13)
InChIKeyRVSYLIIHCXOMMU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.88
Rot. Bonds4

About 4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid

4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid (PubChem CID 170483637) has the molecular formula C8H9NO4S2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid.

Molecular Properties

Compound Name4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid
PubChem CID170483637
Molecular FormulaC8H9NO4S2
Molecular Weight247.30 g/mol
Exact Mass247.00
IUPAC Name4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid
SMILESNS(=O)(=O)c1ccc(C=CCC(=O)O)s1
InChIInChI=1S/C8H9NO4S2/c9-15(12,13)8-5-4-6(14-8)2-1-3-7(10)11/h1-2,4-5H,3H2,(H,10,11)(H2,9,12,13)
InChIKeyRVSYLIIHCXOMMU-UHFFFAOYSA-N
XLogP0.88
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid?
The IUPAC name of 4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid (CID 170483637) is 4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid.
What is the SMILES notation for 4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid?
The canonical SMILES for 4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid is NS(=O)(=O)c1ccc(C=CCC(=O)O)s1.
What is the InChIKey of 4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid?
The InChIKey is RVSYLIIHCXOMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S2/c9-15(12,13)8-5-4-6(14-8)2-1-3-7(10)11/h1-2,4-5H,3H2,(H,10,11)(H2,9,12,13).
What are the key properties of 4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid?
4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid has a molecular weight of 247.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid is sourced from PubChem (CID 170483637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).