5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid

C11H8BrFN2O5S — CID 43323944

IUPAC5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2cc(Br)cc(C(=O)O)c2F)no1
InChIInChI=1S/C11H8BrFN2O5S/c1-5-2-9(14-20-5)15-21(18,19)8-4-6(12)3-7(10(8)13)11(16)17/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyAGKZKJIKIGSXAI-UHFFFAOYSA-N
MW379.16 g/mol
LogP2.38
Rot. Bonds4

About 5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid

5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 43323944) has the molecular formula C11H8BrFN2O5S and a molecular weight of 379.16 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
PubChem CID43323944
Molecular FormulaC11H8BrFN2O5S
Molecular Weight379.16 g/mol
Exact Mass377.93
IUPAC Name5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2cc(Br)cc(C(=O)O)c2F)no1
InChIInChI=1S/C11H8BrFN2O5S/c1-5-2-9(14-20-5)15-21(18,19)8-4-6(12)3-7(10(8)13)11(16)17/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyAGKZKJIKIGSXAI-UHFFFAOYSA-N
XLogP2.38
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.16
LogP ≤ 52.38
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)methylsulfonyl]benzoic acid
CID 43323078
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5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 62904170
3-amino-5-bromo-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
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3-amino-4-bromo-5-chloro-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 103077173
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
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5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215547
5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176900
5-bromo-2-fluoro-3-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 43714240
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 81471487
5-bromo-2-fluoro-3-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid (CID 43323944) is 5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid is Cc1cc(NS(=O)(=O)c2cc(Br)cc(C(=O)O)c2F)no1.
What is the InChIKey of 5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is AGKZKJIKIGSXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O5S/c1-5-2-9(14-20-5)15-21(18,19)8-4-6(12)3-7(10(8)13)11(16)17/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 379.16 g/mol, XLogP of 2.38, 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-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43323944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).