2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide

C16H14Cl3NO3S — CID 46868362

IUPAC2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)Cc1cccc(Cl)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl3NO3S/c17-12-4-1-3-11(9-12)10-24(22,23)8-7-20-16(21)15-13(18)5-2-6-14(15)19/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyWNKYZFISAOGKPP-UHFFFAOYSA-N
MW406.72 g/mol
LogP3.99
Rot. Bonds6

About 2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide

2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide (PubChem CID 46868362) has the molecular formula C16H14Cl3NO3S and a molecular weight of 406.72 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide
PubChem CID46868362
Molecular FormulaC16H14Cl3NO3S
Molecular Weight406.72 g/mol
Exact Mass404.98
IUPAC Name2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)Cc1cccc(Cl)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl3NO3S/c17-12-4-1-3-11(9-12)10-24(22,23)8-7-20-16(21)15-13(18)5-2-6-14(15)19/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyWNKYZFISAOGKPP-UHFFFAOYSA-N
XLogP3.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.72
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide (CID 46868362) is 2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide is O=C(NCCS(=O)(=O)Cc1cccc(Cl)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide?
The InChIKey is WNKYZFISAOGKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO3S/c17-12-4-1-3-11(9-12)10-24(22,23)8-7-20-16(21)15-13(18)5-2-6-14(15)19/h1-6,9H,7-8,10H2,(H,20,21).
What are the key properties of 2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide?
2,6-dichloro-N-[2-[(3-chlorophenyl)methylsulfonyl]ethyl]benzamide has a molecular weight of 406.72 g/mol, XLogP of 3.99, 6 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-chlorophenyl)methylsulfonyl]ethyl]benzamide is sourced from PubChem (CID 46868362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).