1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide

C16H16F3NO2S — CID 142590107

IUPAC1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide
SMILESCC(C)c1ccccc1-c1cccc(NS(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO2S/c1-11(2)14-8-3-4-9-15(14)12-6-5-7-13(10-12)20-23(21,22)16(17,18)19/h3-11,20H,1-2H3
InChIKeyTUKADHGDULQZQJ-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.74
Rot. Bonds4

About 1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide

1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide (PubChem CID 142590107) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide
PubChem CID142590107
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide
SMILESCC(C)c1ccccc1-c1cccc(NS(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO2S/c1-11(2)14-8-3-4-9-15(14)12-6-5-7-13(10-12)20-23(21,22)16(17,18)19/h3-11,20H,1-2H3
InChIKeyTUKADHGDULQZQJ-UHFFFAOYSA-N
XLogP4.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.74
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-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide (CID 142590107) is 1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide is CC(C)c1ccccc1-c1cccc(NS(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide?
The InChIKey is TUKADHGDULQZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-11(2)14-8-3-4-9-15(14)12-6-5-7-13(10-12)20-23(21,22)16(17,18)19/h3-11,20H,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 4.74, 4 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-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 142590107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).