N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide

C12H14F3NO3S — CID 58597505

IUPACN-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3S/c1-2-7-20(18,19)16-8-11(17)9-3-5-10(6-4-9)12(13,14)15/h3-6,16H,2,7-8H2,1H3
InChIKeyCGLKIYHVAXJKHF-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.22
Rot. Bonds6

About N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide

N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide (PubChem CID 58597505) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide
PubChem CID58597505
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3S/c1-2-7-20(18,19)16-8-11(17)9-3-5-10(6-4-9)12(13,14)15/h3-6,16H,2,7-8H2,1H3
InChIKeyCGLKIYHVAXJKHF-UHFFFAOYSA-N
XLogP2.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide (CID 58597505) is N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide?
The InChIKey is CGLKIYHVAXJKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-2-7-20(18,19)16-8-11(17)9-3-5-10(6-4-9)12(13,14)15/h3-6,16H,2,7-8H2,1H3.
What are the key properties of N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide?
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide has a molecular weight of 309.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 58597505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).