methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate

C19H21NO5S — CID 110424099

IUPACmethyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)c1
InChIInChI=1S/C19H21NO5S/c1-24-19(21)14-5-4-6-15(13-14)20-26(22,23)18-11-9-17(10-12-18)25-16-7-2-3-8-16/h4-6,9-13,16,20H,2-3,7-8H2,1H3
InChIKeyXCELAJZSFJIKRY-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.60
Rot. Bonds6

About methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate

methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate (PubChem CID 110424099) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate
PubChem CID110424099
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Namemethyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)c1
InChIInChI=1S/C19H21NO5S/c1-24-19(21)14-5-4-6-15(13-14)20-26(22,23)18-11-9-17(10-12-18)25-16-7-2-3-8-16/h4-6,9-13,16,20H,2-3,7-8H2,1H3
InChIKeyXCELAJZSFJIKRY-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

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methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
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methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
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methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886837
phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
CID 71676330
N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide
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methyl 3-[(2-methylpiperidin-1-yl)sulfonylamino]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate (CID 110424099) is methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate is COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)c1.
What is the InChIKey of methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate?
The InChIKey is XCELAJZSFJIKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-24-19(21)14-5-4-6-15(13-14)20-26(22,23)18-11-9-17(10-12-18)25-16-7-2-3-8-16/h4-6,9-13,16,20H,2-3,7-8H2,1H3.
What are the key properties of methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate?
methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]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 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 110424099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).