[4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate

C12H15NO4S — CID 68577631

IUPAC[4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H15NO4S/c1-9(2)12(14)17-10-5-7-11(8-6-10)18(15,16)13(3)4/h5-8H,1H2,2-4H3
InChIKeyLDPTZPOJJRPHAR-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.42
Rot. Bonds4

About [4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate

[4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate (PubChem CID 68577631) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is [4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate
PubChem CID68577631
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name[4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H15NO4S/c1-9(2)12(14)17-10-5-7-11(8-6-10)18(15,16)13(3)4/h5-8H,1H2,2-4H3
InChIKeyLDPTZPOJJRPHAR-UHFFFAOYSA-N
XLogP1.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
CID 172846034
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
[4-(dimethylsulfamoyl)phenyl] hydrogen sulfate
CID 156503905
[4-(2-methylprop-2-enoyloxy)phenyl]-diphenylsulfanium;methyl sulfate
CID 175695890
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
(4-carbamoylphenyl) 2-methylprop-2-enoate
CID 53440858
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
[3-[3-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate
CID 19360927
[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254
[4-(4-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 67394366

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate (CID 68577631) is [4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of [4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is LDPTZPOJJRPHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-9(2)12(14)17-10-5-7-11(8-6-10)18(15,16)13(3)4/h5-8H,1H2,2-4H3.
What are the key properties of [4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate?
[4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 269.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 68577631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).