methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate

C19H21NO5S — CID 55572892

IUPACmethyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H21NO5S/c1-24-19(21)17-8-4-5-9-18(17)26(22,23)20-14-10-12-16(13-11-14)25-15-6-2-3-7-15/h4-5,8-13,15,20H,2-3,6-7H2,1H3
InChIKeyWCDDHHFQFPDCRD-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.60
Rot. Bonds6

About methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate

methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate (PubChem CID 55572892) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate
PubChem CID55572892
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Namemethyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H21NO5S/c1-24-19(21)17-8-4-5-9-18(17)26(22,23)20-14-10-12-16(13-11-14)25-15-6-2-3-7-15/h4-5,8-13,15,20H,2-3,6-7H2,1H3
InChIKeyWCDDHHFQFPDCRD-UHFFFAOYSA-N
XLogP3.60
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-(cyclopentyloxysulfamoyl)benzoate
CID 83229069
methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate
CID 110424099
N-(4-cyclopentyloxyphenyl)-2,6-difluorobenzenesulfonamide
CID 35548239
N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide
CID 35548330
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
methyl 2-[[4-methyl-3-(methylsulfamoyl)phenyl]sulfamoyl]benzoate
CID 8519727
methyl 2-[(3,5-difluorophenyl)sulfamoyl]benzoate
CID 71900680
methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920549
methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate
CID 103836287

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate (CID 55572892) is methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate?
The InChIKey is WCDDHHFQFPDCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-24-19(21)17-8-4-5-9-18(17)26(22,23)20-14-10-12-16(13-11-14)25-15-6-2-3-7-15/h4-5,8-13,15,20H,2-3,6-7H2,1H3.
What are the key properties of methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate?
methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate has a molecular weight of 375.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 55572892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).