2-(4-bromophenyl)sulfanylpropanamide

C9H10BrNOS — CID 2998202

IUPAC2-(4-bromophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C9H10BrNOS/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)
InChIKeyPRHLNKVYSAKHHB-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.41
Rot. Bonds3

About 2-(4-bromophenyl)sulfanylpropanamide

2-(4-bromophenyl)sulfanylpropanamide (PubChem CID 2998202) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanylpropanamide
PubChem CID2998202
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name2-(4-bromophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C9H10BrNOS/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)
InChIKeyPRHLNKVYSAKHHB-UHFFFAOYSA-N
XLogP2.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)sulfanylpropanamide 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 2-(4-bromophenyl)sulfanylpropanamide?
The IUPAC name of 2-(4-bromophenyl)sulfanylpropanamide (CID 2998202) is 2-(4-bromophenyl)sulfanylpropanamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanylpropanamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanylpropanamide is CC(Sc1ccc(Br)cc1)C(N)=O.
What is the InChIKey of 2-(4-bromophenyl)sulfanylpropanamide?
The InChIKey is PRHLNKVYSAKHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12).
What are the key properties of 2-(4-bromophenyl)sulfanylpropanamide?
2-(4-bromophenyl)sulfanylpropanamide has a molecular weight of 260.16 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanylpropanamide is sourced from PubChem (CID 2998202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).