N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide

C12H14F3NO3S — CID 123157285

IUPACN,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c1-8(11(17)16(2)3)20(18,19)10-6-4-5-9(7-10)12(13,14)15/h4-8H,1-3H3
InChIKeyMLAYJVYVUMFIHS-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.96
Rot. Bonds3

About N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide

N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide (PubChem CID 123157285) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
PubChem CID123157285
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c1-8(11(17)16(2)3)20(18,19)10-6-4-5-9(7-10)12(13,14)15/h4-8H,1-3H3
InChIKeyMLAYJVYVUMFIHS-UHFFFAOYSA-N
XLogP1.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The IUPAC name of N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide (CID 123157285) is N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The canonical SMILES for N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide is CC(C(=O)N(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The InChIKey is MLAYJVYVUMFIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-8(11(17)16(2)3)20(18,19)10-6-4-5-9(7-10)12(13,14)15/h4-8H,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide has a molecular weight of 309.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 123157285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).