2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide

C17H15Cl2NO2S — CID 46868094

IUPAC2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide
SMILESO=Cc1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H15Cl2NO2S/c18-14-5-2-6-15(19)16(14)17(22)20-7-8-23-11-13-4-1-3-12(9-13)10-21/h1-6,9-10H,7-8,11H2,(H,20,22)
InChIKeyYUCASWOVTLWWMX-UHFFFAOYSA-N
MW368.29 g/mol
LogP4.47
Rot. Bonds7

About 2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide

2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 46868094) has the molecular formula C17H15Cl2NO2S and a molecular weight of 368.29 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide
PubChem CID46868094
Molecular FormulaC17H15Cl2NO2S
Molecular Weight368.29 g/mol
Exact Mass367.02
IUPAC Name2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide
SMILESO=Cc1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H15Cl2NO2S/c18-14-5-2-6-15(19)16(14)17(22)20-7-8-23-11-13-4-1-3-12(9-13)10-21/h1-6,9-10H,7-8,11H2,(H,20,22)
InChIKeyYUCASWOVTLWWMX-UHFFFAOYSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide (CID 46868094) is 2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide is O=Cc1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is YUCASWOVTLWWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2S/c18-14-5-2-6-15(19)16(14)17(22)20-7-8-23-11-13-4-1-3-12(9-13)10-21/h1-6,9-10H,7-8,11H2,(H,20,22).
What are the key properties of 2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide?
2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 368.29 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[(3-formylphenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 46868094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).