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

C10H7FN2O5S — CID 79040867

IUPAC3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cnoc2)c(F)c1
InChIInChI=1S/C10H7FN2O5S/c11-8-3-6(10(14)15)1-2-9(8)19(16,17)13-7-4-12-18-5-7/h1-5,13H,(H,14,15)
InChIKeyGMULQTQVNONOOE-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.31
Rot. Bonds4

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

3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid (PubChem CID 79040867) has the molecular formula C10H7FN2O5S and a molecular weight of 286.24 g/mol. Its IUPAC name is 3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
PubChem CID79040867
Molecular FormulaC10H7FN2O5S
Molecular Weight286.24 g/mol
Exact Mass286.01
IUPAC Name3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cnoc2)c(F)c1
InChIInChI=1S/C10H7FN2O5S/c11-8-3-6(10(14)15)1-2-9(8)19(16,17)13-7-4-12-18-5-7/h1-5,13H,(H,14,15)
InChIKeyGMULQTQVNONOOE-UHFFFAOYSA-N
XLogP1.31
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936
5-(1,2-oxazol-4-ylsulfamoyl)thiophene-3-carboxylic acid
CID 62414676
4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid
CID 104856668
5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 62904170
2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55132808
3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 79187066
5-(1,2-oxazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62904176
2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55125549
4-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-3-fluorobenzoic acid
CID 79177691
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642
4-(1,2-oxazol-4-ylamino)benzoic acid
CID 115023257
N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 54340665

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid?
The IUPAC name of 3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid (CID 79040867) is 3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid?
The canonical SMILES for 3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2cnoc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid?
The InChIKey is GMULQTQVNONOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O5S/c11-8-3-6(10(14)15)1-2-9(8)19(16,17)13-7-4-12-18-5-7/h1-5,13H,(H,14,15).
What are the key properties of 3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid?
3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid has a molecular weight of 286.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 79040867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).