cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate

C13H17NO5S — CID 65380431

IUPACcyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
SMILESCCOc1ccc(S(N)(=O)=O)cc1C(=O)OCC1CC1
InChIInChI=1S/C13H17NO5S/c1-2-18-12-6-5-10(20(14,16)17)7-11(12)13(15)19-8-9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H2,14,16,17)
InChIKeyDWJXKPWLPAAJNR-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.30
Rot. Bonds6

About cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate

cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate (PubChem CID 65380431) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Namecyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
PubChem CID65380431
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Namecyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
SMILESCCOc1ccc(S(N)(=O)=O)cc1C(=O)OCC1CC1
InChIInChI=1S/C13H17NO5S/c1-2-18-12-6-5-10(20(14,16)17)7-11(12)13(15)19-8-9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H2,14,16,17)
InChIKeyDWJXKPWLPAAJNR-UHFFFAOYSA-N
XLogP1.30
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate?
The IUPAC name of cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate (CID 65380431) is cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate.
What is the SMILES notation for cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate?
The canonical SMILES for cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate is CCOc1ccc(S(N)(=O)=O)cc1C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate?
The InChIKey is DWJXKPWLPAAJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-2-18-12-6-5-10(20(14,16)17)7-11(12)13(15)19-8-9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H2,14,16,17).
What are the key properties of cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate?
cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate has a molecular weight of 299.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 65380431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).