1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide

C16H15F4NO2S — CID 10618573

IUPAC1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide
SMILESCC(CNS(=O)(=O)C(F)(F)F)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C16H15F4NO2S/c1-11(10-21-24(22,23)16(18,19)20)12-6-8-13(9-7-12)14-4-2-3-5-15(14)17/h2-9,11,21H,10H2,1H3
InChIKeyIBHFIFRDYCECIF-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.04
Rot. Bonds5

About 1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide

1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide (PubChem CID 10618573) has the molecular formula C16H15F4NO2S and a molecular weight of 361.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide
PubChem CID10618573
Molecular FormulaC16H15F4NO2S
Molecular Weight361.36 g/mol
Exact Mass361.08
IUPAC Name1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide
SMILESCC(CNS(=O)(=O)C(F)(F)F)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C16H15F4NO2S/c1-11(10-21-24(22,23)16(18,19)20)12-6-8-13(9-7-12)14-4-2-3-5-15(14)17/h2-9,11,21H,10H2,1H3
InChIKeyIBHFIFRDYCECIF-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide (CID 10618573) is 1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide is CC(CNS(=O)(=O)C(F)(F)F)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide?
The InChIKey is IBHFIFRDYCECIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO2S/c1-11(10-21-24(22,23)16(18,19)20)12-6-8-13(9-7-12)14-4-2-3-5-15(14)17/h2-9,11,21H,10H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide has a molecular weight of 361.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide is sourced from PubChem (CID 10618573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).