methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate

C13H17NO4S — CID 103836700

IUPACmethyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCC1(C)CC1
InChIInChI=1S/C13H17NO4S/c1-13(7-8-13)9-14-19(16,17)11-6-4-3-5-10(11)12(15)18-2/h3-6,14H,7-9H2,1-2H3
InChIKeyMOWRYNJBOMOTQV-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.55
Rot. Bonds5

About methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate

methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate (PubChem CID 103836700) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
PubChem CID103836700
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Namemethyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCC1(C)CC1
InChIInChI=1S/C13H17NO4S/c1-13(7-8-13)9-14-19(16,17)11-6-4-3-5-10(11)12(15)18-2/h3-6,14H,7-9H2,1-2H3
InChIKeyMOWRYNJBOMOTQV-UHFFFAOYSA-N
XLogP1.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]benzoate
CID 115455434
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723870
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate
CID 113318696
methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate
CID 12857942
methyl 2-(2-ethylbutylsulfamoyl)benzoate
CID 115753533
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
CID 103833526
methyl 2-(3-methylsulfinylpropylsulfamoyl)benzoate
CID 103833667

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate?
The IUPAC name of methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate (CID 103836700) is methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NCC1(C)CC1.
What is the InChIKey of methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate?
The InChIKey is MOWRYNJBOMOTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-13(7-8-13)9-14-19(16,17)11-6-4-3-5-10(11)12(15)18-2/h3-6,14H,7-9H2,1-2H3.
What are the key properties of methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate?
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate has a molecular weight of 283.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate is sourced from PubChem (CID 103836700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).