2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C18H18F4N2O3S — CID 11418668

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C18H18F4N2O3S/c1-11(13-5-8-16(15(19)9-13)24-28(2,26)27)17(25)23-10-12-3-6-14(7-4-12)18(20,21)22/h3-9,11,24H,10H2,1-2H3,(H,23,25)
InChIKeyRTCONTPQCAAPGB-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.64
Rot. Bonds6

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 11418668) has the molecular formula C18H18F4N2O3S and a molecular weight of 418.41 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID11418668
Molecular FormulaC18H18F4N2O3S
Molecular Weight418.41 g/mol
Exact Mass418.10
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C18H18F4N2O3S/c1-11(13-5-8-16(15(19)9-13)24-28(2,26)27)17(25)23-10-12-3-6-14(7-4-12)18(20,21)22/h3-9,11,24H,10H2,1-2H3,(H,23,25)
InChIKeyRTCONTPQCAAPGB-UHFFFAOYSA-N
XLogP3.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 11418668) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is RTCONTPQCAAPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O3S/c1-11(13-5-8-16(15(19)9-13)24-28(2,26)27)17(25)23-10-12-3-6-14(7-4-12)18(20,21)22/h3-9,11,24H,10H2,1-2H3,(H,23,25).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 418.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 11418668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).