8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide

C18H10F4N4O3S — CID 166184474

IUPAC8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(F)c2ncccc12
InChIInChI=1S/C18H10F4N4O3S/c19-13-7-8-14(12-2-1-9-23-15(12)13)30(27,28)26-11-5-3-10(4-6-11)16-24-17(29-25-16)18(20,21)22/h1-9,26H
InChIKeyGLSICFKXJKVUNP-UHFFFAOYSA-N
MW438.36 g/mol
LogP4.24
Rot. Bonds4

About 8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide

8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide (PubChem CID 166184474) has the molecular formula C18H10F4N4O3S and a molecular weight of 438.36 g/mol. Its IUPAC name is 8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide
PubChem CID166184474
Molecular FormulaC18H10F4N4O3S
Molecular Weight438.36 g/mol
Exact Mass438.04
IUPAC Name8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(F)c2ncccc12
InChIInChI=1S/C18H10F4N4O3S/c19-13-7-8-14(12-2-1-9-23-15(12)13)30(27,28)26-11-5-3-10(4-6-11)16-24-17(29-25-16)18(20,21)22/h1-9,26H
InChIKeyGLSICFKXJKVUNP-UHFFFAOYSA-N
XLogP4.24
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide?
The IUPAC name of 8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide (CID 166184474) is 8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide?
The canonical SMILES for 8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide is O=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(F)c2ncccc12.
What is the InChIKey of 8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide?
The InChIKey is GLSICFKXJKVUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4N4O3S/c19-13-7-8-14(12-2-1-9-23-15(12)13)30(27,28)26-11-5-3-10(4-6-11)16-24-17(29-25-16)18(20,21)22/h1-9,26H.
What are the key properties of 8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide?
8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide has a molecular weight of 438.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide is sourced from PubChem (CID 166184474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).