N-(3-chlorophenyl)-2-sulfanylacetamide

C8H8ClNOS — CID 781339

IUPACN-(3-chlorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1cccc(Cl)c1
InChIInChI=1S/C8H8ClNOS/c9-6-2-1-3-7(4-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChIKeyDJWPXOOPPHUNGN-UHFFFAOYSA-N
MW201.68 g/mol
LogP2.21
Rot. Bonds2

About N-(3-chlorophenyl)-2-sulfanylacetamide

N-(3-chlorophenyl)-2-sulfanylacetamide (PubChem CID 781339) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-sulfanylacetamide
PubChem CID781339
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC NameN-(3-chlorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1cccc(Cl)c1
InChIInChI=1S/C8H8ClNOS/c9-6-2-1-3-7(4-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChIKeyDJWPXOOPPHUNGN-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chlorophenyl)-2-sulfanylacetamide 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 N-(3-chlorophenyl)-2-sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-sulfanylacetamide (CID 781339) is N-(3-chlorophenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-sulfanylacetamide is O=C(CS)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-sulfanylacetamide?
The InChIKey is DJWPXOOPPHUNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c9-6-2-1-3-7(4-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11).
What are the key properties of N-(3-chlorophenyl)-2-sulfanylacetamide?
N-(3-chlorophenyl)-2-sulfanylacetamide has a molecular weight of 201.68 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 781339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).