2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H13BrF3NO2S — CID 54942045

IUPAC2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C11H13BrF3NO2S/c1-3-16(7-11(13,14)15)19(17,18)10-5-4-8(2)6-9(10)12/h4-6H,3,7H2,1-2H3
InChIKeyFEXIYCYUEVEGLR-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.33
Rot. Bonds4

About 2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 54942045) has the molecular formula C11H13BrF3NO2S and a molecular weight of 360.20 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID54942045
Molecular FormulaC11H13BrF3NO2S
Molecular Weight360.20 g/mol
Exact Mass358.98
IUPAC Name2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C11H13BrF3NO2S/c1-3-16(7-11(13,14)15)19(17,18)10-5-4-8(2)6-9(10)12/h4-6H,3,7H2,1-2H3
InChIKeyFEXIYCYUEVEGLR-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 54942045) is 2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is FEXIYCYUEVEGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO2S/c1-3-16(7-11(13,14)15)19(17,18)10-5-4-8(2)6-9(10)12/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 360.20 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 54942045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).