methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate

C12H14N2O5S — CID 8523828

IUPACmethyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)C1CC1
InChIInChI=1S/C12H14N2O5S/c1-19-12(16)9-4-2-3-5-10(9)20(17,18)14-13-11(15)8-6-7-8/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyHELJRNBJVPSKTH-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.19
Rot. Bonds5

About methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate

methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate (PubChem CID 8523828) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate
PubChem CID8523828
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Namemethyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)C1CC1
InChIInChI=1S/C12H14N2O5S/c1-19-12(16)9-4-2-3-5-10(9)20(17,18)14-13-11(15)8-6-7-8/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyHELJRNBJVPSKTH-UHFFFAOYSA-N
XLogP0.19
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
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'}

Analyze methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(propanoylamino)sulfamoyl]benzoate
CID 8505481
N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide
CID 8523817
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate
CID 8615357
methyl 2-(cyclopentyloxysulfamoyl)benzoate
CID 83229069
methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate
CID 8506214
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate
CID 113318696
methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 7961507
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920549
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate (CID 8523828) is methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NNC(=O)C1CC1.
What is the InChIKey of methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate?
The InChIKey is HELJRNBJVPSKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-19-12(16)9-4-2-3-5-10(9)20(17,18)14-13-11(15)8-6-7-8/h2-5,8,14H,6-7H2,1H3,(H,13,15).
What are the key properties of methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate?
methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate has a molecular weight of 298.32 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-[(cyclopropanecarbonylamino)sulfamoyl]benzoate is sourced from PubChem (CID 8523828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).