N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide

C19H19ClF3NO4S — CID 90100665

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCC(C)(C(=O)NCC(O)c1ccccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19ClF3NO4S/c1-18(2,17(26)24-11-16(25)14-8-3-4-9-15(14)20)29(27,28)13-7-5-6-12(10-13)19(21,22)23/h3-10,16,25H,11H2,1-2H3,(H,24,26)
InChIKeyPWYHSEZPWTTYBO-UHFFFAOYSA-N
MW449.88 g/mol
LogP3.76
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide (PubChem CID 90100665) has the molecular formula C19H19ClF3NO4S and a molecular weight of 449.88 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
PubChem CID90100665
Molecular FormulaC19H19ClF3NO4S
Molecular Weight449.88 g/mol
Exact Mass449.07
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCC(C)(C(=O)NCC(O)c1ccccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19ClF3NO4S/c1-18(2,17(26)24-11-16(25)14-8-3-4-9-15(14)20)29(27,28)13-7-5-6-12(10-13)19(21,22)23/h3-10,16,25H,11H2,1-2H3,(H,24,26)
InChIKeyPWYHSEZPWTTYBO-UHFFFAOYSA-N
XLogP3.76
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.88
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide (CID 90100665) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide is CC(C)(C(=O)NCC(O)c1ccccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The InChIKey is PWYHSEZPWTTYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO4S/c1-18(2,17(26)24-11-16(25)14-8-3-4-9-15(14)20)29(27,28)13-7-5-6-12(10-13)19(21,22)23/h3-10,16,25H,11H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide has a molecular weight of 449.88 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 90100665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).