2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide

C12H16F3NO3S — CID 103836214

IUPAC2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H16F3NO3S/c1-7(2)11(3-4-17)16-20(18,19)12-9(14)5-8(13)6-10(12)15/h5-7,11,16-17H,3-4H2,1-2H3
InChIKeySLINMWSWEHEHKK-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.79
Rot. Bonds6

About 2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide

2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide (PubChem CID 103836214) has the molecular formula C12H16F3NO3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
PubChem CID103836214
Molecular FormulaC12H16F3NO3S
Molecular Weight311.33 g/mol
Exact Mass311.08
IUPAC Name2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H16F3NO3S/c1-7(2)11(3-4-17)16-20(18,19)12-9(14)5-8(13)6-10(12)15/h5-7,11,16-17H,3-4H2,1-2H3
InChIKeySLINMWSWEHEHKK-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide (CID 103836214) is 2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide is CC(C)C(CCO)NS(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is SLINMWSWEHEHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3S/c1-7(2)11(3-4-17)16-20(18,19)12-9(14)5-8(13)6-10(12)15/h5-7,11,16-17H,3-4H2,1-2H3.
What are the key properties of 2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide?
2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 103836214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).