2-(3-chloro-4-fluorophenyl)sulfanylacetamide

C8H7ClFNOS — CID 29479516

IUPAC2-(3-chloro-4-fluorophenyl)sulfanylacetamide
SMILESNC(=O)CSc1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7ClFNOS/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKeyQHAJIZZQSRTNBH-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.06
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)sulfanylacetamide

2-(3-chloro-4-fluorophenyl)sulfanylacetamide (PubChem CID 29479516) has the molecular formula C8H7ClFNOS and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfanylacetamide
PubChem CID29479516
Molecular FormulaC8H7ClFNOS
Molecular Weight219.67 g/mol
Exact Mass218.99
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfanylacetamide
SMILESNC(=O)CSc1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7ClFNOS/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKeyQHAJIZZQSRTNBH-UHFFFAOYSA-N
XLogP2.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanylacetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanylacetamide (CID 29479516) is 2-(3-chloro-4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfanylacetamide is NC(=O)CSc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfanylacetamide?
The InChIKey is QHAJIZZQSRTNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNOS/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H2,11,12).
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfanylacetamide?
2-(3-chloro-4-fluorophenyl)sulfanylacetamide has a molecular weight of 219.67 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 29479516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).