2-(4-chlorophenyl)sulfanyl-N-methylacetamide

C9H10ClNOS — CID 846759

IUPAC2-(4-chlorophenyl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNOS/c1-11-9(12)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyJTDAPWSFGBRKTB-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.18
Rot. Bonds3

About 2-(4-chlorophenyl)sulfanyl-N-methylacetamide

2-(4-chlorophenyl)sulfanyl-N-methylacetamide (PubChem CID 846759) has the molecular formula C9H10ClNOS and a molecular weight of 215.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-methylacetamide
PubChem CID846759
Molecular FormulaC9H10ClNOS
Molecular Weight215.71 g/mol
Exact Mass215.02
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNOS/c1-11-9(12)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyJTDAPWSFGBRKTB-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methylacetamide (CID 846759) is 2-(4-chlorophenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-methylacetamide is CNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-methylacetamide?
The InChIKey is JTDAPWSFGBRKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c1-11-9(12)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-methylacetamide?
2-(4-chlorophenyl)sulfanyl-N-methylacetamide has a molecular weight of 215.71 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 846759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).