5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid

C8H7BrN2O6S2 — CID 79524425

IUPAC5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N[C@@H]2CONC2=O)c(Br)s1
InChIInChI=1S/C8H7BrN2O6S2/c9-6-5(1-4(18-6)8(13)14)19(15,16)11-3-2-17-10-7(3)12/h1,3,11H,2H2,(H,10,12)(H,13,14)/t3-/m1/s1
InChIKeyAAXWNEAWGSFZOC-GSVOUGTGSA-N
MW371.19 g/mol
LogP-0.08
Rot. Bonds4

About 5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 79524425) has the molecular formula C8H7BrN2O6S2 and a molecular weight of 371.19 g/mol. Its IUPAC name is 5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID79524425
Molecular FormulaC8H7BrN2O6S2
Molecular Weight371.19 g/mol
Exact Mass369.89
IUPAC Name5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N[C@@H]2CONC2=O)c(Br)s1
InChIInChI=1S/C8H7BrN2O6S2/c9-6-5(1-4(18-6)8(13)14)19(15,16)11-3-2-17-10-7(3)12/h1,3,11H,2H2,(H,10,12)(H,13,14)/t3-/m1/s1
InChIKeyAAXWNEAWGSFZOC-GSVOUGTGSA-N
XLogP-0.08
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid 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 5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid (CID 79524425) is 5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)N[C@@H]2CONC2=O)c(Br)s1.
What is the InChIKey of 5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is AAXWNEAWGSFZOC-GSVOUGTGSA-N. The full InChI is InChI=1S/C8H7BrN2O6S2/c9-6-5(1-4(18-6)8(13)14)19(15,16)11-3-2-17-10-7(3)12/h1,3,11H,2H2,(H,10,12)(H,13,14)/t3-/m1/s1.
What are the key properties of 5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 371.19 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 79524425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).