2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide

C10H6ClF3N2O3S — CID 75519233

IUPAC2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccon1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H6ClF3N2O3S/c11-7-5-6(10(12,13)14)1-2-8(7)20(17,18)16-9-3-4-19-15-9/h1-5H,(H,15,16)
InChIKeyFGFYBOAKHGXGQJ-UHFFFAOYSA-N
MW326.68 g/mol
LogP3.15
Rot. Bonds3

About 2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 75519233) has the molecular formula C10H6ClF3N2O3S and a molecular weight of 326.68 g/mol. Its IUPAC name is 2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID75519233
Molecular FormulaC10H6ClF3N2O3S
Molecular Weight326.68 g/mol
Exact Mass325.97
IUPAC Name2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccon1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H6ClF3N2O3S/c11-7-5-6(10(12,13)14)1-2-8(7)20(17,18)16-9-3-4-19-15-9/h1-5H,(H,15,16)
InChIKeyFGFYBOAKHGXGQJ-UHFFFAOYSA-N
XLogP3.15
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.68
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 75519233) is 2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccon1)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FGFYBOAKHGXGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O3S/c11-7-5-6(10(12,13)14)1-2-8(7)20(17,18)16-9-3-4-19-15-9/h1-5H,(H,15,16).
What are the key properties of 2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 326.68 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 75519233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).