3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide

C11H11BrF3NO3S — CID 165368809

IUPAC3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOC1)c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NO3S/c12-8-3-7(11(13,14)15)4-10(5-8)20(17,18)16-9-1-2-19-6-9/h3-5,9,16H,1-2,6H2
InChIKeyINXMDIGBNASKGU-UHFFFAOYSA-N
MW374.18 g/mol
LogP2.54
Rot. Bonds3

About 3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide

3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 165368809) has the molecular formula C11H11BrF3NO3S and a molecular weight of 374.18 g/mol. Its IUPAC name is 3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID165368809
Molecular FormulaC11H11BrF3NO3S
Molecular Weight374.18 g/mol
Exact Mass372.96
IUPAC Name3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOC1)c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NO3S/c12-8-3-7(11(13,14)15)4-10(5-8)20(17,18)16-9-1-2-19-6-9/h3-5,9,16H,1-2,6H2
InChIKeyINXMDIGBNASKGU-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide (CID 165368809) is 3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCOC1)c1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is INXMDIGBNASKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO3S/c12-8-3-7(11(13,14)15)4-10(5-8)20(17,18)16-9-1-2-19-6-9/h3-5,9,16H,1-2,6H2.
What are the key properties of 3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 374.18 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 165368809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).