4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide

C15H9Cl4NO3S — CID 5059926

IUPAC4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide
SMILESO=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl4NO3S/c16-10-3-1-9(2-4-10)14(21)20-15(13(18)19)24(22,23)12-7-5-11(17)6-8-12/h1-8H,(H,20,21)
InChIKeyVIFWRNGQMHAWMB-UHFFFAOYSA-N
MW425.12 g/mol
LogP4.80
Rot. Bonds4

About 4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide

4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide (PubChem CID 5059926) has the molecular formula C15H9Cl4NO3S and a molecular weight of 425.12 g/mol. Its IUPAC name is 4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide
PubChem CID5059926
Molecular FormulaC15H9Cl4NO3S
Molecular Weight425.12 g/mol
Exact Mass422.91
IUPAC Name4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide
SMILESO=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl4NO3S/c16-10-3-1-9(2-4-10)14(21)20-15(13(18)19)24(22,23)12-7-5-11(17)6-8-12/h1-8H,(H,20,21)
InChIKeyVIFWRNGQMHAWMB-UHFFFAOYSA-N
XLogP4.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.12
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide?
The IUPAC name of 4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide (CID 5059926) is 4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide is O=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide?
The InChIKey is VIFWRNGQMHAWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4NO3S/c16-10-3-1-9(2-4-10)14(21)20-15(13(18)19)24(22,23)12-7-5-11(17)6-8-12/h1-8H,(H,20,21).
What are the key properties of 4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide?
4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide has a molecular weight of 425.12 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide is sourced from PubChem (CID 5059926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).