2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C17H17F4N3O3S — CID 67439368

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)nc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H17F4N3O3S/c1-10(12-4-5-14(13(18)7-12)24-28(2,26)27)16(25)23-9-11-3-6-15(22-8-11)17(19,20)21/h3-8,10,24H,9H2,1-2H3,(H,23,25)
InChIKeyZUJQHCAQSXOJRX-UHFFFAOYSA-N
MW419.40 g/mol
LogP3.03
Rot. Bonds6

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 67439368) has the molecular formula C17H17F4N3O3S and a molecular weight of 419.40 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID67439368
Molecular FormulaC17H17F4N3O3S
Molecular Weight419.40 g/mol
Exact Mass419.09
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)nc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H17F4N3O3S/c1-10(12-4-5-14(13(18)7-12)24-28(2,26)27)16(25)23-9-11-3-6-15(22-8-11)17(19,20)21/h3-8,10,24H,9H2,1-2H3,(H,23,25)
InChIKeyZUJQHCAQSXOJRX-UHFFFAOYSA-N
XLogP3.03
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 67439368) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)nc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is ZUJQHCAQSXOJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O3S/c1-10(12-4-5-14(13(18)7-12)24-28(2,26)27)16(25)23-9-11-3-6-15(22-8-11)17(19,20)21/h3-8,10,24H,9H2,1-2H3,(H,23,25).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 419.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 67439368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).