N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide

C13H8BrCl2NO3S — CID 11200665

IUPACN-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide
SMILESO=C(NS(=O)(=O)c1cccc(Br)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8BrCl2NO3S/c14-8-2-1-3-10(6-8)21(19,20)17-13(18)11-5-4-9(15)7-12(11)16/h1-7H,(H,17,18)
InChIKeyNTPDQTIWAODSAB-UHFFFAOYSA-N
MW409.09 g/mol
LogP3.87
Rot. Bonds3

About N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide

N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide (PubChem CID 11200665) has the molecular formula C13H8BrCl2NO3S and a molecular weight of 409.09 g/mol. Its IUPAC name is N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide
PubChem CID11200665
Molecular FormulaC13H8BrCl2NO3S
Molecular Weight409.09 g/mol
Exact Mass406.88
IUPAC NameN-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide
SMILESO=C(NS(=O)(=O)c1cccc(Br)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8BrCl2NO3S/c14-8-2-1-3-10(6-8)21(19,20)17-13(18)11-5-4-9(15)7-12(11)16/h1-7H,(H,17,18)
InChIKeyNTPDQTIWAODSAB-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 N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide?
The IUPAC name of N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide (CID 11200665) is N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide.
What is the SMILES notation for N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide?
The canonical SMILES for N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide is O=C(NS(=O)(=O)c1cccc(Br)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide?
The InChIKey is NTPDQTIWAODSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2NO3S/c14-8-2-1-3-10(6-8)21(19,20)17-13(18)11-5-4-9(15)7-12(11)16/h1-7H,(H,17,18).
What are the key properties of N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide?
N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide 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 N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide is sourced from PubChem (CID 11200665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).