methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate

C14H19NO4S — CID 103833526

IUPACmethyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCC(C)C1CC1
InChIInChI=1S/C14H19NO4S/c1-10(11-7-8-11)9-15-20(17,18)13-6-4-3-5-12(13)14(16)19-2/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyKBBKKXHTMNNKFM-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.80
Rot. Bonds6

About methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate

methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate (PubChem CID 103833526) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
PubChem CID103833526
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namemethyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCC(C)C1CC1
InChIInChI=1S/C14H19NO4S/c1-10(11-7-8-11)9-15-20(17,18)13-6-4-3-5-12(13)14(16)19-2/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyKBBKKXHTMNNKFM-UHFFFAOYSA-N
XLogP1.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582633
methyl 2-(2-ethylbutylsulfamoyl)benzoate
CID 115753533
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
methyl 2-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]benzoate
CID 103836933
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate
CID 113318696
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920549
methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
CID 103836700
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 2-(cyclopentyloxysulfamoyl)benzoate
CID 83229069
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate (CID 103833526) is methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate is COC(=O)c1ccccc1S(=O)(=O)NCC(C)C1CC1.
What is the InChIKey of methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate?
The InChIKey is KBBKKXHTMNNKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10(11-7-8-11)9-15-20(17,18)13-6-4-3-5-12(13)14(16)19-2/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate?
methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate has a molecular weight of 297.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate is sourced from PubChem (CID 103833526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).