2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide

C13H7Cl4NO3S — CID 11188738

IUPAC2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl4NO3S/c14-7-1-3-9(11(16)5-7)13(19)18-22(20,21)8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19)
InChIKeyASBBRVILAUZLPW-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.42
Rot. Bonds3

About 2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide

2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide (PubChem CID 11188738) has the molecular formula C13H7Cl4NO3S and a molecular weight of 399.08 g/mol. Its IUPAC name is 2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide
PubChem CID11188738
Molecular FormulaC13H7Cl4NO3S
Molecular Weight399.08 g/mol
Exact Mass396.89
IUPAC Name2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl4NO3S/c14-7-1-3-9(11(16)5-7)13(19)18-22(20,21)8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19)
InChIKeyASBBRVILAUZLPW-UHFFFAOYSA-N
XLogP4.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide (CID 11188738) is 2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide?
The InChIKey is ASBBRVILAUZLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO3S/c14-7-1-3-9(11(16)5-7)13(19)18-22(20,21)8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19).
What are the key properties of 2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide?
2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide has a molecular weight of 399.08 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide is sourced from PubChem (CID 11188738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).