2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide

C16H15Cl2NO3S — CID 46867814

IUPAC2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide
SMILESO=C(NCCS(=O)Cc1cccc(O)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2NO3S/c17-13-5-2-6-14(18)15(13)16(21)19-7-8-23(22)10-11-3-1-4-12(20)9-11/h1-6,9,20H,7-8,10H2,(H,19,21)
InChIKeyPWLSKVLGOBKLCU-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.38
Rot. Bonds6

About 2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide

2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide (PubChem CID 46867814) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide
PubChem CID46867814
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC Name2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide
SMILESO=C(NCCS(=O)Cc1cccc(O)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2NO3S/c17-13-5-2-6-14(18)15(13)16(21)19-7-8-23(22)10-11-3-1-4-12(20)9-11/h1-6,9,20H,7-8,10H2,(H,19,21)
InChIKeyPWLSKVLGOBKLCU-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide (CID 46867814) is 2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide is O=C(NCCS(=O)Cc1cccc(O)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide?
The InChIKey is PWLSKVLGOBKLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c17-13-5-2-6-14(18)15(13)16(21)19-7-8-23(22)10-11-3-1-4-12(20)9-11/h1-6,9,20H,7-8,10H2,(H,19,21).
What are the key properties of 2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide?
2,6-dichloro-N-[2-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide has a molecular weight of 372.27 g/mol, XLogP of 3.38, 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-[(3-hydroxyphenyl)methylsulfinyl]ethyl]benzamide is sourced from PubChem (CID 46867814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).