3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide

C9H7Br2Cl2NO3S — CID 82914764

IUPAC3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(OC/C(Cl)=C/Cl)c(Br)c1
InChIInChI=1S/C9H7Br2Cl2NO3S/c10-7-1-6(18(14,15)16)2-8(11)9(7)17-4-5(13)3-12/h1-3H,4H2,(H2,14,15,16)/b5-3-
InChIKeyUSJKMQQVGZQEAO-HYXAFXHYSA-N
MW439.94 g/mol
LogP3.56
Rot. Bonds4

About 3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide

3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide (PubChem CID 82914764) has the molecular formula C9H7Br2Cl2NO3S and a molecular weight of 439.94 g/mol. Its IUPAC name is 3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
PubChem CID82914764
Molecular FormulaC9H7Br2Cl2NO3S
Molecular Weight439.94 g/mol
Exact Mass436.79
IUPAC Name3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(OC/C(Cl)=C/Cl)c(Br)c1
InChIInChI=1S/C9H7Br2Cl2NO3S/c10-7-1-6(18(14,15)16)2-8(11)9(7)17-4-5(13)3-12/h1-3H,4H2,(H2,14,15,16)/b5-3-
InChIKeyUSJKMQQVGZQEAO-HYXAFXHYSA-N
XLogP3.56
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 82915373
4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 80979145
3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
CID 82915114
4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide
CID 82911867
2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide
CID 82915155
3,5-dibromo-4-(5-fluoropentoxy)benzenesulfonamide
CID 114280287
2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79172889
3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073
4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 82913558
2-(2,6-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82911999
(E)-2,3-dichloroprop-2-ene-1-sulfonamide
CID 139720182
4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene
CID 79167187

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide?
The IUPAC name of 3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide (CID 82914764) is 3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide.
What is the SMILES notation for 3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide?
The canonical SMILES for 3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide is NS(=O)(=O)c1cc(Br)c(OC/C(Cl)=C/Cl)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide?
The InChIKey is USJKMQQVGZQEAO-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H7Br2Cl2NO3S/c10-7-1-6(18(14,15)16)2-8(11)9(7)17-4-5(13)3-12/h1-3H,4H2,(H2,14,15,16)/b5-3-.
What are the key properties of 3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide?
3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide has a molecular weight of 439.94 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide is sourced from PubChem (CID 82914764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).