methyl 3-(prop-2-enylsulfamoyl)benzoate

C11H13NO4S — CID 60624016

IUPACmethyl 3-(prop-2-enylsulfamoyl)benzoate
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C11H13NO4S/c1-3-7-12-17(14,15)10-6-4-5-9(8-10)11(13)16-2/h3-6,8,12H,1,7H2,2H3
InChIKeyGPUWMMCFYWJXSW-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.94
Rot. Bonds5

About methyl 3-(prop-2-enylsulfamoyl)benzoate

methyl 3-(prop-2-enylsulfamoyl)benzoate (PubChem CID 60624016) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is methyl 3-(prop-2-enylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(prop-2-enylsulfamoyl)benzoate
PubChem CID60624016
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Namemethyl 3-(prop-2-enylsulfamoyl)benzoate
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C11H13NO4S/c1-3-7-12-17(14,15)10-6-4-5-9(8-10)11(13)16-2/h3-6,8,12H,1,7H2,2H3
InChIKeyGPUWMMCFYWJXSW-UHFFFAOYSA-N
XLogP0.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-cyanoethyl] 3-(prop-2-enylsulfamoyl)benzoate
CID 7973838
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate
CID 8987349
methyl 3-(2-methylprop-2-enylsulfamoyl)benzoate
CID 114616574
[2-(4-ethylphenyl)-2-oxoethyl] 3-(prop-2-enylsulfamoyl)benzoate
CID 7973749
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
3-[(3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 43093020
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034
N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 21124986
methyl 3-[[(E)-pent-3-enyl]sulfamoyl]benzoate
CID 115628671
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235

Frequently Asked Questions

What is the IUPAC name of methyl 3-(prop-2-enylsulfamoyl)benzoate?
The IUPAC name of methyl 3-(prop-2-enylsulfamoyl)benzoate (CID 60624016) is methyl 3-(prop-2-enylsulfamoyl)benzoate.
What is the SMILES notation for methyl 3-(prop-2-enylsulfamoyl)benzoate?
The canonical SMILES for methyl 3-(prop-2-enylsulfamoyl)benzoate is C=CCNS(=O)(=O)c1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-(prop-2-enylsulfamoyl)benzoate?
The InChIKey is GPUWMMCFYWJXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-3-7-12-17(14,15)10-6-4-5-9(8-10)11(13)16-2/h3-6,8,12H,1,7H2,2H3.
What are the key properties of methyl 3-(prop-2-enylsulfamoyl)benzoate?
methyl 3-(prop-2-enylsulfamoyl)benzoate has a molecular weight of 255.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(prop-2-enylsulfamoyl)benzoate is sourced from PubChem (CID 60624016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).