4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide

C16H15Cl2NOS — CID 2742022

IUPAC4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
SMILESO=C(NCCSCc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NOS/c17-14-7-5-12(6-8-14)16(20)19-9-10-21-11-13-3-1-2-4-15(13)18/h1-8H,9-11H2,(H,19,20)
InChIKeyXGYQMMGAKFUXFT-UHFFFAOYSA-N
MW340.28 g/mol
LogP4.66
Rot. Bonds6

About 4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide

4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 2742022) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
PubChem CID2742022
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
SMILESO=C(NCCSCc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NOS/c17-14-7-5-12(6-8-14)16(20)19-9-10-21-11-13-3-1-2-4-15(13)18/h1-8H,9-11H2,(H,19,20)
InChIKeyXGYQMMGAKFUXFT-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-nitrobenzamide
CID 126189821
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664134
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methylbenzamide
CID 2279724
3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide
CID 100749292
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-propylurea
CID 100748298
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-methylbenzamide
CID 7582460
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 9180021
4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 78806424
4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46653260
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92677932
4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide
CID 103290660
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 18891232

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide (CID 2742022) is 4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide is O=C(NCCSCc1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is XGYQMMGAKFUXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c17-14-7-5-12(6-8-14)16(20)19-9-10-21-11-13-3-1-2-4-15(13)18/h1-8H,9-11H2,(H,19,20).
What are the key properties of 4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide?
4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 340.28 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 2742022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).