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

C11H8BrFN2O5S — CID 81176900

IUPAC5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Br)cc(S(=O)(=O)NCc2ccon2)c1F
InChIInChI=1S/C11H8BrFN2O5S/c12-6-3-8(11(16)17)10(13)9(4-6)21(18,19)14-5-7-1-2-20-15-7/h1-4,14H,5H2,(H,16,17)
InChIKeyOROVMUBYFBGJJJ-UHFFFAOYSA-N
MW379.16 g/mol
LogP1.75
Rot. Bonds5

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

5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid (PubChem CID 81176900) has the molecular formula C11H8BrFN2O5S and a molecular weight of 379.16 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
PubChem CID81176900
Molecular FormulaC11H8BrFN2O5S
Molecular Weight379.16 g/mol
Exact Mass377.93
IUPAC Name5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Br)cc(S(=O)(=O)NCc2ccon2)c1F
InChIInChI=1S/C11H8BrFN2O5S/c12-6-3-8(11(16)17)10(13)9(4-6)21(18,19)14-5-7-1-2-20-15-7/h1-4,14H,5H2,(H,16,17)
InChIKeyOROVMUBYFBGJJJ-UHFFFAOYSA-N
XLogP1.75
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.16
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176902
2-hydroxy-4-methyl-5-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176901
2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81171163
4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477882
5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477683
5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 139003553
5-bromo-2-fluoro-3-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 104759163
5-bromo-2-fluoro-3-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 43665893
5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 62904170
5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid
CID 43323078
5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 43323944
5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215547

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid (CID 81176900) is 5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid is O=C(O)c1cc(Br)cc(S(=O)(=O)NCc2ccon2)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid?
The InChIKey is OROVMUBYFBGJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O5S/c12-6-3-8(11(16)17)10(13)9(4-6)21(18,19)14-5-7-1-2-20-15-7/h1-4,14H,5H2,(H,16,17).
What are the key properties of 5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid?
5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid has a molecular weight of 379.16 g/mol, XLogP of 1.75, 5 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-3-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 81176900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).