4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid

C8H6N2O5S2 — CID 63618335

IUPAC4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccon2)cs1
InChIInChI=1S/C8H6N2O5S2/c11-8(12)6-3-5(4-16-6)17(13,14)10-7-1-2-15-9-7/h1-4H,(H,9,10)(H,11,12)
InChIKeyBKGSKUXOHCRZJW-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.24
Rot. Bonds4

About 4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid

4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 63618335) has the molecular formula C8H6N2O5S2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID63618335
Molecular FormulaC8H6N2O5S2
Molecular Weight274.28 g/mol
Exact Mass273.97
IUPAC Name4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccon2)cs1
InChIInChI=1S/C8H6N2O5S2/c11-8(12)6-3-5(4-16-6)17(13,14)10-7-1-2-15-9-7/h1-4H,(H,9,10)(H,11,12)
InChIKeyBKGSKUXOHCRZJW-UHFFFAOYSA-N
XLogP1.24
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid (CID 63618335) is 4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccon2)cs1.
What is the InChIKey of 4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is BKGSKUXOHCRZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O5S2/c11-8(12)6-3-5(4-16-6)17(13,14)10-7-1-2-15-9-7/h1-4H,(H,9,10)(H,11,12).
What are the key properties of 4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid?
4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63618335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).