2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide

C12H16ClNO3S — CID 106439089

IUPAC2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
SMILESCC(=CCl)COc1c(C)cc(C)cc1S(N)(=O)=O
InChIInChI=1S/C12H16ClNO3S/c1-8-4-10(3)12(17-7-9(2)6-13)11(5-8)18(14,15)16/h4-6H,7H2,1-3H3,(H2,14,15,16)
InChIKeyBVFVWBTWSQKGGQ-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.47
Rot. Bonds4

About 2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide

2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide (PubChem CID 106439089) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
PubChem CID106439089
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
SMILESCC(=CCl)COc1c(C)cc(C)cc1S(N)(=O)=O
InChIInChI=1S/C12H16ClNO3S/c1-8-4-10(3)12(17-7-9(2)6-13)11(5-8)18(14,15)16/h4-6H,7H2,1-3H3,(H2,14,15,16)
InChIKeyBVFVWBTWSQKGGQ-UHFFFAOYSA-N
XLogP2.47
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.47
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-methyl-5-nitrobenzenesulfonamide
CID 106439097
2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide
CID 106439092
3,5-dimethyl-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473034
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 82916982
4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide
CID 82911867
3,5-dimethyl-2-pent-4-enoxybenzenesulfonamide
CID 82914810
3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide
CID 83158027
N-(2-cyanoethyl)-2-(2,4-dimethyl-6-sulfamoylphenoxy)acetamide
CID 82915793
3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde
CID 106438593
2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide
CID 165474374
3-methyl-2-(2-methylprop-2-enoxy)-5-nitrobenzenesulfonamide
CID 113369572

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide (CID 106439089) is 2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide is CC(=CCl)COc1c(C)cc(C)cc1S(N)(=O)=O.
What is the InChIKey of 2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide?
The InChIKey is BVFVWBTWSQKGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-8-4-10(3)12(17-7-9(2)6-13)11(5-8)18(14,15)16/h4-6H,7H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide?
2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide has a molecular weight of 289.78 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 106439089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).