3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid

C13H17NO5S — CID 2466556

IUPAC3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H17NO5S/c1-19-11-7-6-9(13(15)16)8-12(11)20(17,18)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H,15,16)
InChIKeyGWUPJNYEWONPJV-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.61
Rot. Bonds5

About 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid

3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid (PubChem CID 2466556) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid
PubChem CID2466556
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H17NO5S/c1-19-11-7-6-9(13(15)16)8-12(11)20(17,18)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H,15,16)
InChIKeyGWUPJNYEWONPJV-UHFFFAOYSA-N
XLogP1.61
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid (CID 2466556) is 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid?
The InChIKey is GWUPJNYEWONPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-19-11-7-6-9(13(15)16)8-12(11)20(17,18)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid?
3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid has a molecular weight of 299.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid is sourced from PubChem (CID 2466556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).