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

C12H15Cl2NO3S — CID 82911867

IUPAC4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C)c(C)c1OC/C(Cl)=C/Cl
InChIInChI=1S/C12H15Cl2NO3S/c1-7-4-11(19(15,16)17)8(2)9(3)12(7)18-6-10(14)5-13/h4-5H,6H2,1-3H3,(H2,15,16,17)/b10-5-
InChIKeyFYAZQIUYZHZQIZ-YHYXMXQVSA-N
MW324.23 g/mol
LogP2.96
Rot. Bonds4

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

4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide (PubChem CID 82911867) has the molecular formula C12H15Cl2NO3S and a molecular weight of 324.23 g/mol. Its IUPAC name is 4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide
PubChem CID82911867
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.23 g/mol
Exact Mass323.01
IUPAC Name4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C)c(C)c1OC/C(Cl)=C/Cl
InChIInChI=1S/C12H15Cl2NO3S/c1-7-4-11(19(15,16)17)8(2)9(3)12(7)18-6-10(14)5-13/h4-5H,6H2,1-3H3,(H2,15,16,17)/b10-5-
InChIKeyFYAZQIUYZHZQIZ-YHYXMXQVSA-N
XLogP2.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide
CID 82915155
2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 106439089
3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 82914764
3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 82915373
2,3,5-trimethyl-4-(2-methylprop-2-enoxy)benzenesulfonyl chloride
CID 82909947
2,3,5-trimethyl-4-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 115514527
2-(3-chloro-2-methylprop-2-enoxy)-3-methyl-5-nitrobenzenesulfonamide
CID 106439097
2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide
CID 106439092
3-methoxy-2,4,5-trimethylbenzenesulfonamide
CID 175068082
4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride
CID 80699431
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 82916982
N-[[5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]ethanamine
CID 112620249

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide?
The IUPAC name of 4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide (CID 82911867) is 4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide?
The canonical SMILES for 4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)c(C)c(C)c1OC/C(Cl)=C/Cl.
What is the InChIKey of 4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide?
The InChIKey is FYAZQIUYZHZQIZ-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H15Cl2NO3S/c1-7-4-11(19(15,16)17)8(2)9(3)12(7)18-6-10(14)5-13/h4-5H,6H2,1-3H3,(H2,15,16,17)/b10-5-.
What are the key properties of 4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide?
4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide has a molecular weight of 324.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 82911867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).