5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid

C11H7F3N2O5S — CID 10759280

IUPAC5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)noc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H7F3N2O5S/c12-11(13,14)8-7(10(17)18)9(21-15-8)16-22(19,20)6-4-2-1-3-5-6/h1-5,16H,(H,17,18)
InChIKeyBCQXDUVMZLWLKZ-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.19
Rot. Bonds4

About 5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid

5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 10759280) has the molecular formula C11H7F3N2O5S and a molecular weight of 336.25 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
PubChem CID10759280
Molecular FormulaC11H7F3N2O5S
Molecular Weight336.25 g/mol
Exact Mass336.00
IUPAC Name5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)noc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H7F3N2O5S/c12-11(13,14)8-7(10(17)18)9(21-15-8)16-22(19,20)6-4-2-1-3-5-6/h1-5,16H,(H,17,18)
InChIKeyBCQXDUVMZLWLKZ-UHFFFAOYSA-N
XLogP2.19
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 18617283
N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 174717303
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 18617399
5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368360
N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide
CID 126606304
N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide
CID 123961076
6-(benzenesulfonamido)pyridine-2-carboxylic acid
CID 5263740
N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 71935895
4-(benzenesulfonamido)thiophene-3-carboxylic acid
CID 70120734
5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 7574180
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid
CID 68866362

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid (CID 10759280) is 5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(C(F)(F)F)noc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is BCQXDUVMZLWLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O5S/c12-11(13,14)8-7(10(17)18)9(21-15-8)16-22(19,20)6-4-2-1-3-5-6/h1-5,16H,(H,17,18).
What are the key properties of 5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 336.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 10759280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).