methyl 2-[(propanoylamino)sulfamoyl]benzoate

C11H14N2O5S — CID 8505481

IUPACmethyl 2-[(propanoylamino)sulfamoyl]benzoate
SMILESCCC(=O)NNS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C11H14N2O5S/c1-3-10(14)12-13-19(16,17)9-7-5-4-6-8(9)11(15)18-2/h4-7,13H,3H2,1-2H3,(H,12,14)
InChIKeyBUDFNTIFPIQGIZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.19
Rot. Bonds5

About methyl 2-[(propanoylamino)sulfamoyl]benzoate

methyl 2-[(propanoylamino)sulfamoyl]benzoate (PubChem CID 8505481) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl 2-[(propanoylamino)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(propanoylamino)sulfamoyl]benzoate
PubChem CID8505481
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Namemethyl 2-[(propanoylamino)sulfamoyl]benzoate
SMILESCCC(=O)NNS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C11H14N2O5S/c1-3-10(14)12-13-19(16,17)9-7-5-4-6-8(9)11(15)18-2/h4-7,13H,3H2,1-2H3,(H,12,14)
InChIKeyBUDFNTIFPIQGIZ-UHFFFAOYSA-N
XLogP0.19
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate
CID 8523828
methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate
CID 8506214
methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate
CID 8615357
methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate
CID 8614766
methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate
CID 68846024
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
N'-(2,3-dichlorophenyl)sulfonylpropanehydrazide
CID 8505483
methyl 2-(2-ethylbutylsulfamoyl)benzoate
CID 115753533
4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 101190058
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate
CID 103833585
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(propanoylamino)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(propanoylamino)sulfamoyl]benzoate (CID 8505481) is methyl 2-[(propanoylamino)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(propanoylamino)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(propanoylamino)sulfamoyl]benzoate is CCC(=O)NNS(=O)(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(propanoylamino)sulfamoyl]benzoate?
The InChIKey is BUDFNTIFPIQGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-3-10(14)12-13-19(16,17)9-7-5-4-6-8(9)11(15)18-2/h4-7,13H,3H2,1-2H3,(H,12,14).
What are the key properties of methyl 2-[(propanoylamino)sulfamoyl]benzoate?
methyl 2-[(propanoylamino)sulfamoyl]benzoate has a molecular weight of 286.31 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(propanoylamino)sulfamoyl]benzoate is sourced from PubChem (CID 8505481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).