2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide

C12H16F3NO3S — CID 57474035

IUPAC2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(CO)C(F)(F)F)c(C)c1
InChIInChI=1S/C12H16F3NO3S/c1-7-4-8(2)11(9(3)5-7)20(18,19)16-10(6-17)12(13,14)15/h4-5,10,16-17H,6H2,1-3H3
InChIKeyOIIQUGZFWPKIBN-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.81
Rot. Bonds4

About 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide

2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 57474035) has the molecular formula C12H16F3NO3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID57474035
Molecular FormulaC12H16F3NO3S
Molecular Weight311.33 g/mol
Exact Mass311.08
IUPAC Name2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(CO)C(F)(F)F)c(C)c1
InChIInChI=1S/C12H16F3NO3S/c1-7-4-8(2)11(9(3)5-7)20(18,19)16-10(6-17)12(13,14)15/h4-5,10,16-17H,6H2,1-3H3
InChIKeyOIIQUGZFWPKIBN-UHFFFAOYSA-N
XLogP1.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide (CID 57474035) is 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(CO)C(F)(F)F)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is OIIQUGZFWPKIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3S/c1-7-4-8(2)11(9(3)5-7)20(18,19)16-10(6-17)12(13,14)15/h4-5,10,16-17H,6H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 57474035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).