sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate

C12H15NO5S — CID 174500982

IUPACsulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate
SMILESCOc1cc(C)cc(C(=O)OS(N)(=O)=O)c1C1CC1
InChIInChI=1S/C12H15NO5S/c1-7-5-9(12(14)18-19(13,15)16)11(8-3-4-8)10(6-7)17-2/h5-6,8H,3-4H2,1-2H3,(H2,13,15,16)
InChIKeyIEUGENVYBGNKNL-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.24
Rot. Bonds4

About sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate

sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate (PubChem CID 174500982) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate.

Molecular Properties

Compound Namesulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate
PubChem CID174500982
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Namesulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate
SMILESCOc1cc(C)cc(C(=O)OS(N)(=O)=O)c1C1CC1
InChIInChI=1S/C12H15NO5S/c1-7-5-9(12(14)18-19(13,15)16)11(8-3-4-8)10(6-7)17-2/h5-6,8H,3-4H2,1-2H3,(H2,13,15,16)
InChIKeyIEUGENVYBGNKNL-UHFFFAOYSA-N
XLogP1.24
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate?
The IUPAC name of sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate (CID 174500982) is sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate.
What is the SMILES notation for sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate?
The canonical SMILES for sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate is COc1cc(C)cc(C(=O)OS(N)(=O)=O)c1C1CC1.
What is the InChIKey of sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate?
The InChIKey is IEUGENVYBGNKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-7-5-9(12(14)18-19(13,15)16)11(8-3-4-8)10(6-7)17-2/h5-6,8H,3-4H2,1-2H3,(H2,13,15,16).
What are the key properties of sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate?
sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate has a molecular weight of 285.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoyl 2-cyclopropyl-3-methoxy-5-methylbenzoate is sourced from PubChem (CID 174500982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).