2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide

C15H14ClNO2S — CID 11855008

IUPAC2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c16-13-7-5-11(6-8-13)14-4-2-1-3-12(14)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyNGKMIRWLVJBBBI-UHFFFAOYSA-N
MW307.80 g/mol
LogP2.74
Rot. Bonds5

About 2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide

2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide (PubChem CID 11855008) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide
PubChem CID11855008
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c16-13-7-5-11(6-8-13)14-4-2-1-3-12(14)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyNGKMIRWLVJBBBI-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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide (CID 11855008) is 2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide is NC(=O)CS(=O)Cc1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is NGKMIRWLVJBBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-13-7-5-11(6-8-13)14-4-2-1-3-12(14)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18).
What are the key properties of 2-[[2-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide?
2-[[2-(4-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-(4-chlorophenyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 11855008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).