2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide

C15H11F3N2O3S — CID 55387447

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESCC(Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11F3N2O3S/c1-8(24-10-3-5-11(16)13(18)7-10)15(21)19-9-2-4-12(17)14(6-9)20(22)23/h2-8H,1H3,(H,19,21)
InChIKeySEJUJIHWBRCGHR-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.13
Rot. Bonds5

About 2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide

2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide (PubChem CID 55387447) has the molecular formula C15H11F3N2O3S and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
PubChem CID55387447
Molecular FormulaC15H11F3N2O3S
Molecular Weight356.33 g/mol
Exact Mass356.04
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESCC(Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11F3N2O3S/c1-8(24-10-3-5-11(16)13(18)7-10)15(21)19-9-2-4-12(17)14(6-9)20(22)23/h2-8H,1H3,(H,19,21)
InChIKeySEJUJIHWBRCGHR-UHFFFAOYSA-N
XLogP4.13
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7456444
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 43026503
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
(2R)-2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7950434
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 7737171
(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 8763649
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310323
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide (CID 55387447) is 2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide is CC(Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide?
The InChIKey is SEJUJIHWBRCGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S/c1-8(24-10-3-5-11(16)13(18)7-10)15(21)19-9-2-4-12(17)14(6-9)20(22)23/h2-8H,1H3,(H,19,21).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide?
2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide has a molecular weight of 356.33 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide is sourced from PubChem (CID 55387447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).