methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate

C14H19NO5S — CID 115755650

IUPACmethyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate
SMILESC=C(C)COCCNS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C14H19NO5S/c1-11(2)10-20-9-8-15-21(17,18)13-7-5-4-6-12(13)14(16)19-3/h4-7,15H,1,8-10H2,2-3H3
InChIKeyWQGWJDIGPXBQKD-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.34
Rot. Bonds8

About methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate

methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate (PubChem CID 115755650) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate
PubChem CID115755650
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate
SMILESC=C(C)COCCNS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C14H19NO5S/c1-11(2)10-20-9-8-15-21(17,18)13-7-5-4-6-12(13)14(16)19-3/h4-7,15H,1,8-10H2,2-3H3
InChIKeyWQGWJDIGPXBQKD-UHFFFAOYSA-N
XLogP1.34
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-butoxyethylsulfamoyl)benzoate
CID 103833549
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
2-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698735
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
methyl 2-(3-methylsulfinylpropylsulfamoyl)benzoate
CID 103833667
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate
CID 113318696
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
methyl 2-[2-(trifluoromethylsulfanyl)ethylsulfamoyl]benzoate
CID 103833480
4-amino-2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoic acid
CID 102931784
5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 113258245

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate (CID 115755650) is methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate is C=C(C)COCCNS(=O)(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate?
The InChIKey is WQGWJDIGPXBQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-11(2)10-20-9-8-15-21(17,18)13-7-5-4-6-12(13)14(16)19-3/h4-7,15H,1,8-10H2,2-3H3.
What are the key properties of methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate?
methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate has a molecular weight of 313.38 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate is sourced from PubChem (CID 115755650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).