2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide

C15H14ClNO2S — CID 57393055

IUPAC2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO2S/c16-13-6-3-5-11(8-13)14-7-2-1-4-12(14)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyDQOBZFILTLTMKJ-UHFFFAOYSA-N
MW307.80 g/mol
LogP2.74
Rot. Bonds5

About 2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide

2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide (PubChem CID 57393055) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
PubChem CID57393055
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO2S/c16-13-6-3-5-11(8-13)14-7-2-1-4-12(14)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyDQOBZFILTLTMKJ-UHFFFAOYSA-N
XLogP2.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Modafinil
CID 4236
Armodafinil
CID 9690109
Modafinil, (S)-
CID 11173366
(-)-2-[2-(4-Chlorophenyl)benzyl]sulphinylacetamide
CID 11855008
(+/-)-2-(Bis(4-chlorophenyl)methylsulfinyl)acetamide
CID 53322734
2-((Bis(3-chlorophenyl)methyl)thio)acetamide
CID 76314640
2-((Bis(3-chlorophenyl)methyl)sulfinyl)acetamide
CID 76329087
2-(Bis(4-Chlorophenyl)Methylthio)Acetamide
CID 53324067
(+/-)-2-(Bis(4-chlorophenyl)methylsulfinyl)-N-methylacetamide
CID 53324069
2-[(2-Phenylphenyl)methylsulfinyl]acetamide
CID 11694727
2-[[2-(4-Fluorophenyl)phenyl]methylsulfinyl]acetamide
CID 11594486
2-[[3-(4-Chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 11652465

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide (CID 57393055) is 2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide is NC(=O)CS(=O)Cc1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is DQOBZFILTLTMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-13-6-3-5-11(8-13)14-7-2-1-4-12(14)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18).
What are the key properties of 2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide?
2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 307.80 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 57393055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).