3-chloro-N-(4-chlorophenyl)sulfonylbenzamide

C13H9Cl2NO3S — CID 11174891

IUPAC3-chloro-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C13H9Cl2NO3S/c14-10-4-6-12(7-5-10)20(18,19)16-13(17)9-2-1-3-11(15)8-9/h1-8H,(H,16,17)
InChIKeyOPPZHIMBWGDCCT-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.11
Rot. Bonds3

About 3-chloro-N-(4-chlorophenyl)sulfonylbenzamide

3-chloro-N-(4-chlorophenyl)sulfonylbenzamide (PubChem CID 11174891) has the molecular formula C13H9Cl2NO3S and a molecular weight of 330.19 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)sulfonylbenzamide
PubChem CID11174891
Molecular FormulaC13H9Cl2NO3S
Molecular Weight330.19 g/mol
Exact Mass328.97
IUPAC Name3-chloro-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C13H9Cl2NO3S/c14-10-4-6-12(7-5-10)20(18,19)16-13(17)9-2-1-3-11(15)8-9/h1-8H,(H,16,17)
InChIKeyOPPZHIMBWGDCCT-UHFFFAOYSA-N
XLogP3.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)sulfonylbenzamide (CID 11174891) is 3-chloro-N-(4-chlorophenyl)sulfonylbenzamide.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
The InChIKey is OPPZHIMBWGDCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3S/c14-10-4-6-12(7-5-10)20(18,19)16-13(17)9-2-1-3-11(15)8-9/h1-8H,(H,16,17).
What are the key properties of 3-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
3-chloro-N-(4-chlorophenyl)sulfonylbenzamide has a molecular weight of 330.19 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chlorophenyl)sulfonylbenzamide is sourced from PubChem (CID 11174891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).