2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide

C10H12ClNOS — CID 875467

IUPAC2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNOS/c1-12(2)10(13)7-14-9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3
InChIKeyWLBGIFAQOYDCKT-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.52
Rot. Bonds3

About 2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide

2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide (PubChem CID 875467) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide
PubChem CID875467
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNOS/c1-12(2)10(13)7-14-9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3
InChIKeyWLBGIFAQOYDCKT-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide (CID 875467) is 2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is WLBGIFAQOYDCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c1-12(2)10(13)7-14-9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide?
2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 229.73 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 875467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).