methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate

C13H18N2O4S — CID 62665529

IUPACmethyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCCNC1CC1
InChIInChI=1S/C13H18N2O4S/c1-19-13(16)11-4-2-3-5-12(11)20(17,18)15-9-8-14-10-6-7-10/h2-5,10,14-15H,6-9H2,1H3
InChIKeyISAGENJRPJTSLU-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.50
Rot. Bonds7

About methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate

methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate (PubChem CID 62665529) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
PubChem CID62665529
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Namemethyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCCNC1CC1
InChIInChI=1S/C13H18N2O4S/c1-19-13(16)11-4-2-3-5-12(11)20(17,18)15-9-8-14-10-6-7-10/h2-5,10,14-15H,6-9H2,1H3
InChIKeyISAGENJRPJTSLU-UHFFFAOYSA-N
XLogP0.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
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-cyclopropylethylsulfamoyl)benzoate
CID 113318696
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
methyl 2-(2-butoxyethylsulfamoyl)benzoate
CID 103833549
methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
CID 103833526
methyl 2-(2-pyrrolidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119977382
methyl 2-(3-methylsulfinylpropylsulfamoyl)benzoate
CID 103833667
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide
CID 55100980
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
CID 103836700
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate (CID 62665529) is methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NCCNC1CC1.
What is the InChIKey of methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate?
The InChIKey is ISAGENJRPJTSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-13(16)11-4-2-3-5-12(11)20(17,18)15-9-8-14-10-6-7-10/h2-5,10,14-15H,6-9H2,1H3.
What are the key properties of methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate?
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate has a molecular weight of 298.36 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate is sourced from PubChem (CID 62665529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).