5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid

C9H7BrN2O6S2 — CID 106379599

IUPAC5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2csc(=O)[nH]2)c(Br)o1
InChIInChI=1S/C9H7BrN2O6S2/c10-7-6(1-5(18-7)8(13)14)20(16,17)11-2-4-3-19-9(15)12-4/h1,3,11H,2H2,(H,12,15)(H,13,14)
InChIKeyXGLJMCIWPVLTOD-UHFFFAOYSA-N
MW383.20 g/mol
LogP0.97
Rot. Bonds5

About 5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 106379599) has the molecular formula C9H7BrN2O6S2 and a molecular weight of 383.20 g/mol. Its IUPAC name is 5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID106379599
Molecular FormulaC9H7BrN2O6S2
Molecular Weight383.20 g/mol
Exact Mass381.89
IUPAC Name5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2csc(=O)[nH]2)c(Br)o1
InChIInChI=1S/C9H7BrN2O6S2/c10-7-6(1-5(18-7)8(13)14)20(16,17)11-2-4-3-19-9(15)12-4/h1,3,11H,2H2,(H,12,15)(H,13,14)
InChIKeyXGLJMCIWPVLTOD-UHFFFAOYSA-N
XLogP0.97
TPSA129.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 63247995
2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 113341895
5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106383980
5-bromo-4-[(3-bromophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62830234
2-bromo-4-(methylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383993
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379579
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379584
5-bromo-4-[3-(methanesulfonamido)propylsulfamoyl]furan-2-carboxylic acid
CID 106334960
5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
CID 62803988
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 106379571
5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 106394932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid (CID 106379599) is 5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCc2csc(=O)[nH]2)c(Br)o1.
What is the InChIKey of 5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is XGLJMCIWPVLTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O6S2/c10-7-6(1-5(18-7)8(13)14)20(16,17)11-2-4-3-19-9(15)12-4/h1,3,11H,2H2,(H,12,15)(H,13,14).
What are the key properties of 5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 383.20 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 106379599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).