2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide

C16H15Cl2NO2S — CID 46867670

IUPAC2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide
SMILESO=C(NCCSCc1ccc(O)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2NO2S/c17-13-2-1-3-14(18)15(13)16(21)19-8-9-22-10-11-4-6-12(20)7-5-11/h1-7,20H,8-10H2,(H,19,21)
InChIKeyNYZQTDZVJFACCK-UHFFFAOYSA-N
MW356.27 g/mol
LogP4.36
Rot. Bonds6

About 2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide

2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 46867670) has the molecular formula C16H15Cl2NO2S and a molecular weight of 356.27 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide
PubChem CID46867670
Molecular FormulaC16H15Cl2NO2S
Molecular Weight356.27 g/mol
Exact Mass355.02
IUPAC Name2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide
SMILESO=C(NCCSCc1ccc(O)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2NO2S/c17-13-2-1-3-14(18)15(13)16(21)19-8-9-22-10-11-4-6-12(20)7-5-11/h1-7,20H,8-10H2,(H,19,21)
InChIKeyNYZQTDZVJFACCK-UHFFFAOYSA-N
XLogP4.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide (CID 46867670) is 2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide is O=C(NCCSCc1ccc(O)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is NYZQTDZVJFACCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c17-13-2-1-3-14(18)15(13)16(21)19-8-9-22-10-11-4-6-12(20)7-5-11/h1-7,20H,8-10H2,(H,19,21).
What are the key properties of 2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide?
2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 356.27 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[(4-hydroxyphenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 46867670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).