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Methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate

C13H16ClNO4S — CID 35294285

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C13H16ClNO4S/c1-19-13(16)9-6-7-11(14)12(8-9)20(17,18)15-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3
InChIKeyMZMNDMAAALZFIV-UHFFFAOYSA-N
MW317.79 g/mol
LogP2.35
Rot. Bonds4

About Methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate

Methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate (PubChem CID 35294285) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate.

Molecular Properties

Compound NameMethyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
PubChem CID35294285
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Namemethyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C13H16ClNO4S/c1-19-13(16)9-6-7-11(14)12(8-9)20(17,18)15-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3
InChIKeyMZMNDMAAALZFIV-UHFFFAOYSA-N
XLogP2.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate?
The IUPAC name of Methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate (CID 35294285) is methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate.
What is the SMILES notation for Methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate?
The canonical SMILES for Methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate is COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of Methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate?
The InChIKey is MZMNDMAAALZFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c1-19-13(16)9-6-7-11(14)12(8-9)20(17,18)15-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3.
What are the key properties of Methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate?
Methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate has a molecular weight of 317.79 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate is sourced from PubChem (CID 35294285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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