N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide

C16H16F3NO3S — CID 46022295

IUPACN-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide
SMILESCOc1ccc(N(Cc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H16F3NO3S/c1-23-15-8-6-14(7-9-15)20(24(2,21)22)11-12-4-3-5-13(10-12)16(17,18)19/h3-10H,11H2,1-2H3
InChIKeyFPKOFCPQWUSZHN-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.68
Rot. Bonds5

About N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide

N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide (PubChem CID 46022295) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide
PubChem CID46022295
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC NameN-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide
SMILESCOc1ccc(N(Cc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H16F3NO3S/c1-23-15-8-6-14(7-9-15)20(24(2,21)22)11-12-4-3-5-13(10-12)16(17,18)19/h3-10H,11H2,1-2H3
InChIKeyFPKOFCPQWUSZHN-UHFFFAOYSA-N
XLogP3.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide (CID 46022295) is N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide is COc1ccc(N(Cc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
The InChIKey is FPKOFCPQWUSZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c1-23-15-8-6-14(7-9-15)20(24(2,21)22)11-12-4-3-5-13(10-12)16(17,18)19/h3-10H,11H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 46022295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).