2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide

C11H14F3NO2S — CID 24761756

IUPAC2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)Cc1cc(C(F)(F)F)ccc1S(N)(=O)=O
InChIInChI=1S/C11H14F3NO2S/c1-7(2)5-8-6-9(11(12,13)14)3-4-10(8)18(15,16)17/h3-4,6-7H,5H2,1-2H3,(H2,15,16,17)
InChIKeyXWVQJLYLUQCYJH-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.55
Rot. Bonds3

About 2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide

2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 24761756) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID24761756
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)Cc1cc(C(F)(F)F)ccc1S(N)(=O)=O
InChIInChI=1S/C11H14F3NO2S/c1-7(2)5-8-6-9(11(12,13)14)3-4-10(8)18(15,16)17/h3-4,6-7H,5H2,1-2H3,(H2,15,16,17)
InChIKeyXWVQJLYLUQCYJH-UHFFFAOYSA-N
XLogP2.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide (CID 24761756) is 2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide is CC(C)Cc1cc(C(F)(F)F)ccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XWVQJLYLUQCYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-7(2)5-8-6-9(11(12,13)14)3-4-10(8)18(15,16)17/h3-4,6-7H,5H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide?
2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 281.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24761756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).