2-(3-chlorophenyl)sulfanylacetamide

C8H8ClNOS — CID 62647381

IUPAC2-(3-chlorophenyl)sulfanylacetamide
SMILESNC(=O)CSc1cccc(Cl)c1
InChIInChI=1S/C8H8ClNOS/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeyHCAXKQVUEXUSKL-UHFFFAOYSA-N
MW201.68 g/mol
LogP1.92
Rot. Bonds3

About 2-(3-chlorophenyl)sulfanylacetamide

2-(3-chlorophenyl)sulfanylacetamide (PubChem CID 62647381) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanylacetamide
PubChem CID62647381
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC Name2-(3-chlorophenyl)sulfanylacetamide
SMILESNC(=O)CSc1cccc(Cl)c1
InChIInChI=1S/C8H8ClNOS/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeyHCAXKQVUEXUSKL-UHFFFAOYSA-N
XLogP1.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)sulfanylacetamide 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

2-(3-aminophenyl)sulfanylacetamide
CID 19300065
1-(3-chlorophenyl)sulfanylbutan-2-one
CID 62648231
ethyl 2-(3-chlorophenyl)sulfanylacetate
CID 62648053
3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane
CID 142545208
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid
CID 62647718
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone
CID 62646826
ethyl 5-(3-chlorophenyl)sulfanyl-4-oxopentanoate
CID 66323393
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 114854003
2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 63406943
1-(2-amino-3-pyridinyl)-2-(3-chlorophenyl)sulfanylethanone
CID 66148493
1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 66145984

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanylacetamide?
The IUPAC name of 2-(3-chlorophenyl)sulfanylacetamide (CID 62647381) is 2-(3-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)sulfanylacetamide is NC(=O)CSc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanylacetamide?
The InChIKey is HCAXKQVUEXUSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11).
What are the key properties of 2-(3-chlorophenyl)sulfanylacetamide?
2-(3-chlorophenyl)sulfanylacetamide has a molecular weight of 201.68 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 62647381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).