methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate

C15H19NO5S — CID 51099382

IUPACmethyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(=O)CC2CCCC2)c1
InChIInChI=1S/C15H19NO5S/c1-21-15(18)12-7-4-8-13(10-12)22(19,20)16-14(17)9-11-5-2-3-6-11/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,17)
InChIKeyIMGBXQMSNVUNBC-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.86
Rot. Bonds5

About methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate

methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate (PubChem CID 51099382) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate
PubChem CID51099382
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC Namemethyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(=O)CC2CCCC2)c1
InChIInChI=1S/C15H19NO5S/c1-21-15(18)12-7-4-8-13(10-12)22(19,20)16-14(17)9-11-5-2-3-6-11/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,17)
InChIKeyIMGBXQMSNVUNBC-UHFFFAOYSA-N
XLogP1.86
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate (CID 51099382) is methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)NC(=O)CC2CCCC2)c1.
What is the InChIKey of methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate?
The InChIKey is IMGBXQMSNVUNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-21-15(18)12-7-4-8-13(10-12)22(19,20)16-14(17)9-11-5-2-3-6-11/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,17).
What are the key properties of methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate?
methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate has a molecular weight of 325.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate is sourced from PubChem (CID 51099382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).