2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide

C9H9ClFNOS — CID 961808

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSCc1c(F)cccc1Cl
InChIInChI=1S/C9H9ClFNOS/c10-7-2-1-3-8(11)6(7)4-14-5-9(12)13/h1-3H,4-5H2,(H2,12,13)
InChIKeyNYNDSHTZZOCSDG-UHFFFAOYSA-N
MW233.69 g/mol
LogP2.20
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 961808) has the molecular formula C9H9ClFNOS and a molecular weight of 233.69 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
PubChem CID961808
Molecular FormulaC9H9ClFNOS
Molecular Weight233.69 g/mol
Exact Mass233.01
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSCc1c(F)cccc1Cl
InChIInChI=1S/C9H9ClFNOS/c10-7-2-1-3-8(11)6(7)4-14-5-9(12)13/h1-3H,4-5H2,(H2,12,13)
InChIKeyNYNDSHTZZOCSDG-UHFFFAOYSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide (CID 961808) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide is NC(=O)CSCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is NYNDSHTZZOCSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNOS/c10-7-2-1-3-8(11)6(7)4-14-5-9(12)13/h1-3H,4-5H2,(H2,12,13).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 233.69 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 961808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).