3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid

C8H5BrN2O4S3 — CID 60784960

IUPAC3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H5BrN2O4S3/c9-5-3-10-8(17-5)11-18(14,15)4-1-2-16-6(4)7(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyOFTSNLJVOALHCP-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.47
Rot. Bonds4

About 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid

3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 60784960) has the molecular formula C8H5BrN2O4S3 and a molecular weight of 369.24 g/mol. Its IUPAC name is 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID60784960
Molecular FormulaC8H5BrN2O4S3
Molecular Weight369.24 g/mol
Exact Mass367.86
IUPAC Name3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H5BrN2O4S3/c9-5-3-10-8(17-5)11-18(14,15)4-1-2-16-6(4)7(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyOFTSNLJVOALHCP-UHFFFAOYSA-N
XLogP2.47
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 60784960) is 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)Nc1ncc(Br)s1.
What is the InChIKey of 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is OFTSNLJVOALHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O4S3/c9-5-3-10-8(17-5)11-18(14,15)4-1-2-16-6(4)7(12)13/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 369.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60784960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).