methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate

C13H19NO5S — CID 104600714

IUPACmethyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C13H19NO5S/c1-10(2)19-9-8-14-20(16,17)12-7-5-4-6-11(12)13(15)18-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyFTQPANSUIVPDMS-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.18
Rot. Bonds7

About methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate

methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate (PubChem CID 104600714) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
PubChem CID104600714
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Namemethyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C13H19NO5S/c1-10(2)19-9-8-14-20(16,17)12-7-5-4-6-11(12)13(15)18-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyFTQPANSUIVPDMS-UHFFFAOYSA-N
XLogP1.18
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate
CID 115755650
methyl 2-(2-butoxyethylsulfamoyl)benzoate
CID 103833549
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
CID 103833526
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate
CID 113318696
methyl 2-(3-methylsulfinylpropylsulfamoyl)benzoate
CID 103833667
methyl 2-(2-ethylbutylsulfamoyl)benzoate
CID 115753533
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
methyl 2-[2-(trifluoromethylsulfanyl)ethylsulfamoyl]benzoate
CID 103833480
methyl 2-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]benzoate
CID 103836933

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate (CID 104600714) is methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate is COC(=O)c1ccccc1S(=O)(=O)NCCOC(C)C.
What is the InChIKey of methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate?
The InChIKey is FTQPANSUIVPDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-10(2)19-9-8-14-20(16,17)12-7-5-4-6-11(12)13(15)18-3/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate?
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate has a molecular weight of 301.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate is sourced from PubChem (CID 104600714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).