methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate

C13H16ClNO4S — CID 35294285

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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Related Compounds

methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
methyl 4-chloro-3-[[(3S)-piperidin-3-yl]sulfamoyl]benzoate
CID 104982557
methyl 3-chloro-4-(piperidin-3-ylsulfamoyl)benzoate
CID 119964359
methyl 4-chloro-3-[[1-[(3S)-oxolan-3-yl]piperidin-4-yl]sulfamoyl]benzoate
CID 96999446
4-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-4-oxobutanoic acid
CID 23329158
4-[4-chloro-3-(cycloheptylsulfamoyl)phenyl]-4-oxobutanoic acid
CID 69468983
methyl 4-chloro-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]sulfonylbenzoate
CID 30872655
methyl 4-chloro-3-chlorosulfonylbenzoate
CID 18071846
(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672183
2-(3-methylphenoxy)ethyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672225
(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672240

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).