4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide

C11H14BrNO3S — CID 82913558

IUPAC4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
SMILESC=C(Br)COc1c(C)cc(S(N)(=O)=O)cc1C
InChIInChI=1S/C11H14BrNO3S/c1-7-4-10(17(13,14)15)5-8(2)11(7)16-6-9(3)12/h4-5H,3,6H2,1-2H3,(H2,13,14,15)
InChIKeyAHLLICBHBMUIOX-UHFFFAOYSA-N
MW320.21 g/mol
LogP2.24
Rot. Bonds4

About 4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide

4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide (PubChem CID 82913558) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
PubChem CID82913558
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
SMILESC=C(Br)COc1c(C)cc(S(N)(=O)=O)cc1C
InChIInChI=1S/C11H14BrNO3S/c1-7-4-10(17(13,14)15)5-8(2)11(7)16-6-9(3)12/h4-5H,3,6H2,1-2H3,(H2,13,14,15)
InChIKeyAHLLICBHBMUIOX-UHFFFAOYSA-N
XLogP2.24
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-4-(2-methylidenebutoxy)benzenesulfonamide
CID 82914223
2-(2,6-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82911999
2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene
CID 130642496
2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide
CID 82913111
2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide
CID 82911199
4-but-3-enoxy-3,5-dimethylbenzenesulfonamide
CID 82913781
3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide
CID 82913119
5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide
CID 82921777
3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide
CID 82918928
[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
CID 112621176
4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide
CID 82914133
4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide
CID 43342485

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide (CID 82913558) is 4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide is C=C(Br)COc1c(C)cc(S(N)(=O)=O)cc1C.
What is the InChIKey of 4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide?
The InChIKey is AHLLICBHBMUIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-7-4-10(17(13,14)15)5-8(2)11(7)16-6-9(3)12/h4-5H,3,6H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide?
4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide has a molecular weight of 320.21 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 82913558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).