4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide

C13H8BrCl2NO3S — CID 10113563

IUPAC4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H8BrCl2NO3S/c14-8-1-6-11(12(16)7-8)13(18)17-21(19,20)10-4-2-9(15)3-5-10/h1-7H,(H,17,18)
InChIKeyAZJXTFAKHUFRQY-UHFFFAOYSA-N
MW409.09 g/mol
LogP3.87
Rot. Bonds3

About 4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide

4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide (PubChem CID 10113563) has the molecular formula C13H8BrCl2NO3S and a molecular weight of 409.09 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide
PubChem CID10113563
Molecular FormulaC13H8BrCl2NO3S
Molecular Weight409.09 g/mol
Exact Mass406.88
IUPAC Name4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H8BrCl2NO3S/c14-8-1-6-11(12(16)7-8)13(18)17-21(19,20)10-4-2-9(15)3-5-10/h1-7H,(H,17,18)
InChIKeyAZJXTFAKHUFRQY-UHFFFAOYSA-N
XLogP3.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.09
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
The IUPAC name of 4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide (CID 10113563) is 4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
The InChIKey is AZJXTFAKHUFRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2NO3S/c14-8-1-6-11(12(16)7-8)13(18)17-21(19,20)10-4-2-9(15)3-5-10/h1-7H,(H,17,18).
What are the key properties of 4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide has a molecular weight of 409.09 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(4-chlorophenyl)sulfonylbenzamide is sourced from PubChem (CID 10113563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).