4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide

C20H14Cl3NOS — CID 2806171

IUPAC4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide
SMILESO=C(NCc1c(Cl)cccc1Sc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl3NOS/c21-14-6-4-13(5-7-14)20(25)24-12-17-18(23)2-1-3-19(17)26-16-10-8-15(22)9-11-16/h1-11H,12H2,(H,24,25)
InChIKeyMPUJGDGRFRKIOD-UHFFFAOYSA-N
MW422.76 g/mol
LogP6.73
Rot. Bonds5

About 4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide

4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide (PubChem CID 2806171) has the molecular formula C20H14Cl3NOS and a molecular weight of 422.76 g/mol. Its IUPAC name is 4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide
PubChem CID2806171
Molecular FormulaC20H14Cl3NOS
Molecular Weight422.76 g/mol
Exact Mass420.99
IUPAC Name4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide
SMILESO=C(NCc1c(Cl)cccc1Sc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl3NOS/c21-14-6-4-13(5-7-14)20(25)24-12-17-18(23)2-1-3-19(17)26-16-10-8-15(22)9-11-16/h1-11H,12H2,(H,24,25)
InChIKeyMPUJGDGRFRKIOD-UHFFFAOYSA-N
XLogP6.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.76
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide (CID 2806171) is 4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide is O=C(NCc1c(Cl)cccc1Sc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide?
The InChIKey is MPUJGDGRFRKIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3NOS/c21-14-6-4-13(5-7-14)20(25)24-12-17-18(23)2-1-3-19(17)26-16-10-8-15(22)9-11-16/h1-11H,12H2,(H,24,25).
What are the key properties of 4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide?
4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide has a molecular weight of 422.76 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide is sourced from PubChem (CID 2806171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).