2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide

C11H11BrF3NO2S — CID 126754182

IUPAC2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C11H11BrF3NO2S/c1-7(2)6-16-19(17,18)10-5-8(11(13,14)15)3-4-9(10)12/h3-5,16H,1,6H2,2H3
InChIKeyLSQBVBRSCIPFOH-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.32
Rot. Bonds4

About 2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide

2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 126754182) has the molecular formula C11H11BrF3NO2S and a molecular weight of 358.18 g/mol. Its IUPAC name is 2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID126754182
Molecular FormulaC11H11BrF3NO2S
Molecular Weight358.18 g/mol
Exact Mass356.96
IUPAC Name2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C11H11BrF3NO2S/c1-7(2)6-16-19(17,18)10-5-8(11(13,14)15)3-4-9(10)12/h3-5,16H,1,6H2,2H3
InChIKeyLSQBVBRSCIPFOH-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide (CID 126754182) is 2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LSQBVBRSCIPFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2S/c1-7(2)6-16-19(17,18)10-5-8(11(13,14)15)3-4-9(10)12/h3-5,16H,1,6H2,2H3.
What are the key properties of 2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide?
2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 358.18 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 126754182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).