methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate

C13H19NO5S — CID 103833585

IUPACmethyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate
SMILESCOCC(C)(C)NS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C13H19NO5S/c1-13(2,9-18-3)14-20(16,17)11-8-6-5-7-10(11)12(15)19-4/h5-8,14H,9H2,1-4H3
InChIKeyWGIWTJGQVQVXRN-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.18
Rot. Bonds6

About methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate

methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate (PubChem CID 103833585) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate
PubChem CID103833585
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Namemethyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate
SMILESCOCC(C)(C)NS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C13H19NO5S/c1-13(2,9-18-3)14-20(16,17)11-8-6-5-7-10(11)12(15)19-4/h5-8,14H,9H2,1-4H3
InChIKeyWGIWTJGQVQVXRN-UHFFFAOYSA-N
XLogP1.18
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
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methyl 2-(phenylsulfamoyl)benzoate
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methyl 2-(2-aminoethylsulfamoyl)benzoate
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methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-[(propanoylamino)sulfamoyl]benzoate
CID 8505481
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate
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methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
methyl 2-(aminomethylsulfonyl)benzoate
CID 71067036
methyl 2-azidosulfonylbenzoate
CID 25128429
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
CID 103836700
4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 101190058

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate (CID 103833585) is methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate is COCC(C)(C)NS(=O)(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate?
The InChIKey is WGIWTJGQVQVXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-13(2,9-18-3)14-20(16,17)11-8-6-5-7-10(11)12(15)19-4/h5-8,14H,9H2,1-4H3.
What are the key properties of methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate?
methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate has a molecular weight of 301.36 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 103833585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).