N-(3,4-dichlorophenyl)-3-sulfanylpropanamide

C9H9Cl2NOS — CID 83773718

IUPACN-(3,4-dichlorophenyl)-3-sulfanylpropanamide
SMILESO=C(CCS)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NOS/c10-7-2-1-6(5-8(7)11)12-9(13)3-4-14/h1-2,5,14H,3-4H2,(H,12,13)
InChIKeyYLZRHFRKMXFRSE-UHFFFAOYSA-N
MW250.15 g/mol
LogP3.25
Rot. Bonds3

About N-(3,4-dichlorophenyl)-3-sulfanylpropanamide

N-(3,4-dichlorophenyl)-3-sulfanylpropanamide (PubChem CID 83773718) has the molecular formula C9H9Cl2NOS and a molecular weight of 250.15 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-sulfanylpropanamide
PubChem CID83773718
Molecular FormulaC9H9Cl2NOS
Molecular Weight250.15 g/mol
Exact Mass248.98
IUPAC NameN-(3,4-dichlorophenyl)-3-sulfanylpropanamide
SMILESO=C(CCS)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NOS/c10-7-2-1-6(5-8(7)11)12-9(13)3-4-14/h1-2,5,14H,3-4H2,(H,12,13)
InChIKeyYLZRHFRKMXFRSE-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(3,4-dichlorophenyl)-3-sulfanylpropanamide 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

Propanil
CID 4933
Cypromid
CID 17693
N-(4-Chlorophenyl)acetamide
CID 10871
N-(3-Chlorophenyl)acetamide
CID 11493
3,4-Dichloroacetanilide
CID 16530
Chloranocryl
CID 16560
3-Decoxypropanenitrile
CID 99466
2-chloro-N-(3,4-dichlorophenyl)acetamide
CID 234744
3',4'-Dichlorocyclohexanecarboxanilide
CID 140002
Erlujixiancaoan
CID 595317
2,2,2-Trichloro-N-(3,4-dichlorophenyl)acetamide
CID 308066
N-(3-chlorophenyl)pivalamide
CID 532035

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-sulfanylpropanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-sulfanylpropanamide (CID 83773718) is N-(3,4-dichlorophenyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-sulfanylpropanamide is O=C(CCS)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-sulfanylpropanamide?
The InChIKey is YLZRHFRKMXFRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NOS/c10-7-2-1-6(5-8(7)11)12-9(13)3-4-14/h1-2,5,14H,3-4H2,(H,12,13).
What are the key properties of N-(3,4-dichlorophenyl)-3-sulfanylpropanamide?
N-(3,4-dichlorophenyl)-3-sulfanylpropanamide has a molecular weight of 250.15 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 83773718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).