5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide

C10H9BrF3NO3S — CID 166003388

IUPAC5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1COC1)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO3S/c11-6-1-2-8(10(12,13)14)9(3-6)19(16,17)15-7-4-18-5-7/h1-3,7,15H,4-5H2
InChIKeyAPYCWHOAEGYVKI-UHFFFAOYSA-N
MW360.15 g/mol
LogP2.14
Rot. Bonds3

About 5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide

5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 166003388) has the molecular formula C10H9BrF3NO3S and a molecular weight of 360.15 g/mol. Its IUPAC name is 5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID166003388
Molecular FormulaC10H9BrF3NO3S
Molecular Weight360.15 g/mol
Exact Mass358.94
IUPAC Name5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1COC1)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO3S/c11-6-1-2-8(10(12,13)14)9(3-6)19(16,17)15-7-4-18-5-7/h1-3,7,15H,4-5H2
InChIKeyAPYCWHOAEGYVKI-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 166003388) is 5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1COC1)c1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is APYCWHOAEGYVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO3S/c11-6-1-2-8(10(12,13)14)9(3-6)19(16,17)15-7-4-18-5-7/h1-3,7,15H,4-5H2.
What are the key properties of 5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 360.15 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166003388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).