2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide

C12H15BrF3NO2S — CID 68688168

IUPAC2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C12H15BrF3NO2S/c1-4-11(2,3)17-20(18,19)10-7-8(12(14,15)16)5-6-9(10)13/h5-7,17H,4H2,1-3H3
InChIKeyUHGRBMKSXUTGPH-UHFFFAOYSA-N
MW374.22 g/mol
LogP3.93
Rot. Bonds4

About 2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide

2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 68688168) has the molecular formula C12H15BrF3NO2S and a molecular weight of 374.22 g/mol. Its IUPAC name is 2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID68688168
Molecular FormulaC12H15BrF3NO2S
Molecular Weight374.22 g/mol
Exact Mass373.00
IUPAC Name2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C12H15BrF3NO2S/c1-4-11(2,3)17-20(18,19)10-7-8(12(14,15)16)5-6-9(10)13/h5-7,17H,4H2,1-3H3
InChIKeyUHGRBMKSXUTGPH-UHFFFAOYSA-N
XLogP3.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide (CID 68688168) is 2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UHGRBMKSXUTGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3NO2S/c1-4-11(2,3)17-20(18,19)10-7-8(12(14,15)16)5-6-9(10)13/h5-7,17H,4H2,1-3H3.
What are the key properties of 2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 374.22 g/mol, XLogP of 3.93, 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-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 68688168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).