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

C11H13Cl2NO3S — CID 82915155

IUPAC2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)c(OC/C(Cl)=C/Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H13Cl2NO3S/c1-7-3-8(2)11(17-6-9(13)5-12)10(4-7)18(14,15)16/h3-5H,6H2,1-2H3,(H2,14,15,16)/b9-5-
InChIKeyFZKZCUARIDSOPK-UITAMQMPSA-N
MW310.20 g/mol
LogP2.65
Rot. Bonds4

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

2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide (PubChem CID 82915155) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is 2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide
PubChem CID82915155
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Name2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)c(OC/C(Cl)=C/Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H13Cl2NO3S/c1-7-3-8(2)11(17-6-9(13)5-12)10(4-7)18(14,15)16/h3-5H,6H2,1-2H3,(H2,14,15,16)/b9-5-
InChIKeyFZKZCUARIDSOPK-UITAMQMPSA-N
XLogP2.65
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 106439089
4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide
CID 82911867
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 82916982
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
3,5-dimethyl-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473034
3,5-dimethyl-2-pent-4-enoxybenzenesulfonamide
CID 82914810
2-(3-chloro-2-methylprop-2-enoxy)-3-methyl-5-nitrobenzenesulfonamide
CID 106439097
3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide
CID 83158027
N-(2-cyanoethyl)-2-(2,4-dimethyl-6-sulfamoylphenoxy)acetamide
CID 82915793
1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene
CID 79173704
2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide
CID 165474374

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide (CID 82915155) is 2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide is Cc1cc(C)c(OC/C(Cl)=C/Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide?
The InChIKey is FZKZCUARIDSOPK-UITAMQMPSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c1-7-3-8(2)11(17-6-9(13)5-12)10(4-7)18(14,15)16/h3-5H,6H2,1-2H3,(H2,14,15,16)/b9-5-.
What are the key properties of 2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide?
2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide has a molecular weight of 310.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 82915155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).