3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide

C15H11ClF3NOS — CID 2382024

IUPAC3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H11ClF3NOS/c16-9-1-3-10(4-2-9)22-8-7-13(21)20-12-6-5-11(17)14(18)15(12)19/h1-6H,7-8H2,(H,20,21)
InChIKeyFEZNEZGPDSINMK-UHFFFAOYSA-N
MW345.77 g/mol
LogP4.88
Rot. Bonds5

About 3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 2382024) has the molecular formula C15H11ClF3NOS and a molecular weight of 345.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID2382024
Molecular FormulaC15H11ClF3NOS
Molecular Weight345.77 g/mol
Exact Mass345.02
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H11ClF3NOS/c16-9-1-3-10(4-2-9)22-8-7-13(21)20-12-6-5-11(17)14(18)15(12)19/h1-6H,7-8H2,(H,20,21)
InChIKeyFEZNEZGPDSINMK-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-((4-chlorophenyl)sulfanyl)phenyl)acetamide
CID 2384590
N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide
CID 2806035
4-Acetamido-4'-chlorodiphenyl sulfone
CID 246667
3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide
CID 4237823
N-(2-chlorophenyl)-2-[(3-chlorophenyl)sulfinyl]acetamide
CID 4358481
3-(4-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 4425333
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 15994795
N-(4-chlorophenyl)-2-(phenylsulfonyl)acetamide
CID 892271
3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol
CID 759518
Acetamide, N-(4-fluorophenyl)-2-phenylthio-
CID 532041
Phenylthioacetamide, N-(2-fluorophenyl)-
CID 532867
2-({2-[(4-chlorophenyl)sulfonyl]ethyl}thio)-N-phenylacetamide
CID 2819429

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide (CID 2382024) is 3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide is O=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is FEZNEZGPDSINMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NOS/c16-9-1-3-10(4-2-9)22-8-7-13(21)20-12-6-5-11(17)14(18)15(12)19/h1-6H,7-8H2,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 345.77 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 2382024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).