3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide

C16H14F4N2O3S — CID 113146018

IUPAC3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(F)c(F)c1F)c1cccc(F)c1
InChIInChI=1S/C16H14F4N2O3S/c1-26(24,25)22(11-4-2-3-10(17)9-11)8-7-14(23)21-13-6-5-12(18)15(19)16(13)20/h2-6,9H,7-8H2,1H3,(H,21,23)
InChIKeyMHXBIWPUECEIQJ-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.04
Rot. Bonds6

About 3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide

3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 113146018) has the molecular formula C16H14F4N2O3S and a molecular weight of 390.36 g/mol. Its IUPAC name is 3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID113146018
Molecular FormulaC16H14F4N2O3S
Molecular Weight390.36 g/mol
Exact Mass390.07
IUPAC Name3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(F)c(F)c1F)c1cccc(F)c1
InChIInChI=1S/C16H14F4N2O3S/c1-26(24,25)22(11-4-2-3-10(17)9-11)8-7-14(23)21-13-6-5-12(18)15(19)16(13)20/h2-6,9H,7-8H2,1H3,(H,21,23)
InChIKeyMHXBIWPUECEIQJ-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 113145992
2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153696
2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113177755
N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141532
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153986
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113131062
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
CID 53285560
N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280
3-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113145922
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142311
3-(3-cyano-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113146899

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide (CID 113146018) is 3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccc(F)c(F)c1F)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is MHXBIWPUECEIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O3S/c1-26(24,25)22(11-4-2-3-10(17)9-11)8-7-14(23)21-13-6-5-12(18)15(19)16(13)20/h2-6,9H,7-8H2,1H3,(H,21,23).
What are the key properties of 3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 390.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 113146018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).