5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide

C8H5F3N2O4S — CID 177254462

IUPAC5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1
InChIInChI=1S/C8H5F3N2O4S/c9-8(10,11)6-3-4(13-17-6)5-1-2-7(16-5)18(12,14)15/h1-3H,(H2,12,14,15)
InChIKeyKSCSLJAOKQGLJN-UHFFFAOYSA-N
MW282.20 g/mol
LogP1.60
Rot. Bonds2

About 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide

5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide (PubChem CID 177254462) has the molecular formula C8H5F3N2O4S and a molecular weight of 282.20 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide
PubChem CID177254462
Molecular FormulaC8H5F3N2O4S
Molecular Weight282.20 g/mol
Exact Mass281.99
IUPAC Name5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1
InChIInChI=1S/C8H5F3N2O4S/c9-8(10,11)6-3-4(13-17-6)5-1-2-7(16-5)18(12,14)15/h1-3H,(H2,12,14,15)
InChIKeyKSCSLJAOKQGLJN-UHFFFAOYSA-N
XLogP1.60
TPSA99.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide?
The IUPAC name of 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide (CID 177254462) is 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide.
What is the SMILES notation for 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide?
The canonical SMILES for 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide is NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1.
What is the InChIKey of 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide?
The InChIKey is KSCSLJAOKQGLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O4S/c9-8(10,11)6-3-4(13-17-6)5-1-2-7(16-5)18(12,14)15/h1-3H,(H2,12,14,15).
What are the key properties of 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide?
5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide has a molecular weight of 282.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide is sourced from PubChem (CID 177254462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).