methyl 2-(2-cyclopropylethylsulfamoyl)benzoate

C13H17NO4S — CID 113318696

IUPACmethyl 2-(2-cyclopropylethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCCC1CC1
InChIInChI=1S/C13H17NO4S/c1-18-13(15)11-4-2-3-5-12(11)19(16,17)14-9-8-10-6-7-10/h2-5,10,14H,6-9H2,1H3
InChIKeyNZJSITCCUFDXTI-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.55
Rot. Bonds6

About methyl 2-(2-cyclopropylethylsulfamoyl)benzoate

methyl 2-(2-cyclopropylethylsulfamoyl)benzoate (PubChem CID 113318696) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl 2-(2-cyclopropylethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-cyclopropylethylsulfamoyl)benzoate
PubChem CID113318696
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Namemethyl 2-(2-cyclopropylethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCCC1CC1
InChIInChI=1S/C13H17NO4S/c1-18-13(15)11-4-2-3-5-12(11)19(16,17)14-9-8-10-6-7-10/h2-5,10,14H,6-9H2,1H3
InChIKeyNZJSITCCUFDXTI-UHFFFAOYSA-N
XLogP1.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-pyrrolidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119977382
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
methyl 2-(2-butoxyethylsulfamoyl)benzoate
CID 103833549
methyl 2-[2-(trifluoromethylsulfanyl)ethylsulfamoyl]benzoate
CID 103833480
methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
CID 103833526
methyl 2-(3-methylsulfinylpropylsulfamoyl)benzoate
CID 103833667
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
methyl 2-(3-cyclopropylpropylsulfamoyl)-4-fluorobenzoate
CID 103833685
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
CID 103836700

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclopropylethylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(2-cyclopropylethylsulfamoyl)benzoate (CID 113318696) is methyl 2-(2-cyclopropylethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(2-cyclopropylethylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(2-cyclopropylethylsulfamoyl)benzoate is COC(=O)c1ccccc1S(=O)(=O)NCCC1CC1.
What is the InChIKey of methyl 2-(2-cyclopropylethylsulfamoyl)benzoate?
The InChIKey is NZJSITCCUFDXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-18-13(15)11-4-2-3-5-12(11)19(16,17)14-9-8-10-6-7-10/h2-5,10,14H,6-9H2,1H3.
What are the key properties of methyl 2-(2-cyclopropylethylsulfamoyl)benzoate?
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate has a molecular weight of 283.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclopropylethylsulfamoyl)benzoate is sourced from PubChem (CID 113318696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).