3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide

C15H13BrFNOS — CID 2351326

IUPAC3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide
SMILESO=C(CCSc1ccc(Br)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13BrFNOS/c16-11-1-7-14(8-2-11)20-10-9-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10H2,(H,18,19)
InChIKeyGRKJNJLAAYCQPX-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.71
Rot. Bonds5

About 3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide

3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide (PubChem CID 2351326) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide
PubChem CID2351326
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide
SMILESO=C(CCSc1ccc(Br)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13BrFNOS/c16-11-1-7-14(8-2-11)20-10-9-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10H2,(H,18,19)
InChIKeyGRKJNJLAAYCQPX-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide (CID 2351326) is 3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide is O=C(CCSc1ccc(Br)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide?
The InChIKey is GRKJNJLAAYCQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-11-1-7-14(8-2-11)20-10-9-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10H2,(H,18,19).
What are the key properties of 3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide?
3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide has a molecular weight of 354.24 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 2351326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).