2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide

C15H14ClNO3S — CID 11558850

IUPAC2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C15H14ClNO3S/c16-12-6-2-4-8-14(12)20-13-7-3-1-5-11(13)9-21(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyOIBQSGPAMFKVER-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.87
Rot. Bonds6

About 2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide

2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide (PubChem CID 11558850) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide
PubChem CID11558850
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C15H14ClNO3S/c16-12-6-2-4-8-14(12)20-13-7-3-1-5-11(13)9-21(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyOIBQSGPAMFKVER-UHFFFAOYSA-N
XLogP2.87
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide (CID 11558850) is 2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide is NC(=O)CS(=O)Cc1ccccc1Oc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide?
The InChIKey is OIBQSGPAMFKVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-12-6-2-4-8-14(12)20-13-7-3-1-5-11(13)9-21(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18).
What are the key properties of 2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide?
2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide has a molecular weight of 323.80 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 11558850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).