N-(4-chlorophenyl)-2-sulfanylacetamide

C8H8ClNOS — CID 7587068

IUPACN-(4-chlorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNOS/c9-6-1-3-7(4-2-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChIKeyPRMJASBUKNCAPI-UHFFFAOYSA-N
MW201.68 g/mol
LogP2.21
Rot. Bonds2

About N-(4-chlorophenyl)-2-sulfanylacetamide

N-(4-chlorophenyl)-2-sulfanylacetamide (PubChem CID 7587068) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-sulfanylacetamide
PubChem CID7587068
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC NameN-(4-chlorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNOS/c9-6-1-3-7(4-2-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChIKeyPRMJASBUKNCAPI-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-sulfanylacetamide (CID 7587068) is N-(4-chlorophenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-sulfanylacetamide is O=C(CS)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-sulfanylacetamide?
The InChIKey is PRMJASBUKNCAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c9-6-1-3-7(4-2-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11).
What are the key properties of N-(4-chlorophenyl)-2-sulfanylacetamide?
N-(4-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-(4-chlorophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 7587068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).