5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid

C10H6BrFN2O5S — CID 62904170

IUPAC5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Br)cc(S(=O)(=O)Nc2cnoc2)c1F
InChIInChI=1S/C10H6BrFN2O5S/c11-5-1-7(10(15)16)9(12)8(2-5)20(17,18)14-6-3-13-19-4-6/h1-4,14H,(H,15,16)
InChIKeySGEGRUWQNSXDHP-UHFFFAOYSA-N
MW365.14 g/mol
LogP2.08
Rot. Bonds4

About 5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid

5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid (PubChem CID 62904170) has the molecular formula C10H6BrFN2O5S and a molecular weight of 365.14 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
PubChem CID62904170
Molecular FormulaC10H6BrFN2O5S
Molecular Weight365.14 g/mol
Exact Mass363.92
IUPAC Name5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Br)cc(S(=O)(=O)Nc2cnoc2)c1F
InChIInChI=1S/C10H6BrFN2O5S/c11-5-1-7(10(15)16)9(12)8(2-5)20(17,18)14-6-3-13-19-4-6/h1-4,14H,(H,15,16)
InChIKeySGEGRUWQNSXDHP-UHFFFAOYSA-N
XLogP2.08
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.14
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 43323944
3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 79040867
5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 43323216
5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 63565423
2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55125549
5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903482
5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176900
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642
5-(1,2-oxazol-4-ylsulfamoyl)thiophene-3-carboxylic acid
CID 62414676
2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 80708187
5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215547
2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55132808

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid?
The IUPAC name of 5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid (CID 62904170) is 5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid?
The canonical SMILES for 5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid is O=C(O)c1cc(Br)cc(S(=O)(=O)Nc2cnoc2)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid?
The InChIKey is SGEGRUWQNSXDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O5S/c11-5-1-7(10(15)16)9(12)8(2-5)20(17,18)14-6-3-13-19-4-6/h1-4,14H,(H,15,16).
What are the key properties of 5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid?
5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid has a molecular weight of 365.14 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 62904170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).