5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid

C11H11BrN2O5S2 — CID 106370269

IUPAC5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCCc1cnc(CNS(=O)(=O)c2cc(C(=O)O)sc2Br)o1
InChIInChI=1S/C11H11BrN2O5S2/c1-2-6-4-13-9(19-6)5-14-21(17,18)8-3-7(11(15)16)20-10(8)12/h3-4,14H,2,5H2,1H3,(H,15,16)
InChIKeyPYUNKYDMQNMXKU-UHFFFAOYSA-N
MW395.26 g/mol
LogP2.24
Rot. Bonds6

About 5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106370269) has the molecular formula C11H11BrN2O5S2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID106370269
Molecular FormulaC11H11BrN2O5S2
Molecular Weight395.26 g/mol
Exact Mass393.93
IUPAC Name5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCCc1cnc(CNS(=O)(=O)c2cc(C(=O)O)sc2Br)o1
InChIInChI=1S/C11H11BrN2O5S2/c1-2-6-4-13-9(19-6)5-14-21(17,18)8-3-7(11(15)16)20-10(8)12/h3-4,14H,2,5H2,1H3,(H,15,16)
InChIKeyPYUNKYDMQNMXKU-UHFFFAOYSA-N
XLogP2.24
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 106370269) is 5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid is CCc1cnc(CNS(=O)(=O)c2cc(C(=O)O)sc2Br)o1.
What is the InChIKey of 5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is PYUNKYDMQNMXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O5S2/c1-2-6-4-13-9(19-6)5-14-21(17,18)8-3-7(11(15)16)20-10(8)12/h3-4,14H,2,5H2,1H3,(H,15,16).
What are the key properties of 5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 395.26 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106370269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).