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

C9H7Cl4NO3S — CID 82915373

IUPAC3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OC/C(Cl)=C/Cl)c(Cl)c1
InChIInChI=1S/C9H7Cl4NO3S/c10-3-5(11)4-17-9-7(12)1-6(2-8(9)13)18(14,15)16/h1-3H,4H2,(H2,14,15,16)/b5-3-
InChIKeyRUSUBXSPLYIPBN-HYXAFXHYSA-N
MW351.04 g/mol
LogP3.34
Rot. Bonds4

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

3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide (PubChem CID 82915373) has the molecular formula C9H7Cl4NO3S and a molecular weight of 351.04 g/mol. Its IUPAC name is 3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
PubChem CID82915373
Molecular FormulaC9H7Cl4NO3S
Molecular Weight351.04 g/mol
Exact Mass348.89
IUPAC Name3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OC/C(Cl)=C/Cl)c(Cl)c1
InChIInChI=1S/C9H7Cl4NO3S/c10-3-5(11)4-17-9-7(12)1-6(2-8(9)13)18(14,15)16/h1-3H,4H2,(H2,14,15,16)/b5-3-
InChIKeyRUSUBXSPLYIPBN-HYXAFXHYSA-N
XLogP3.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 82914764
4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 80979145
N-cyclopropyl-2-(2,6-dichloro-4-sulfamoylphenoxy)acetamide
CID 82914772
3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 82918055
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-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide
CID 60801262
[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
CID 79172958
N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide
CID 35292285
3,5-dichloro-4-(4,4-dimethylpent-2-ynoxy)benzenesulfonamide
CID 114190036
3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
CID 62127983
1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 79168378

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide (CID 82915373) is 3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(OC/C(Cl)=C/Cl)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide?
The InChIKey is RUSUBXSPLYIPBN-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H7Cl4NO3S/c10-3-5(11)4-17-9-7(12)1-6(2-8(9)13)18(14,15)16/h1-3H,4H2,(H2,14,15,16)/b5-3-.
What are the key properties of 3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide?
3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide has a molecular weight of 351.04 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide is sourced from PubChem (CID 82915373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).