methyl 3-(2-phenoxyethylsulfamoyl)benzoate

C16H17NO5S — CID 35609145

IUPACmethyl 3-(2-phenoxyethylsulfamoyl)benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2)c1
InChIInChI=1S/C16H17NO5S/c1-21-16(18)13-6-5-9-15(12-13)23(19,20)17-10-11-22-14-7-3-2-4-8-14/h2-9,12,17H,10-11H2,1H3
InChIKeyAVBNFGHEQLCXQC-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.83
Rot. Bonds7

About methyl 3-(2-phenoxyethylsulfamoyl)benzoate

methyl 3-(2-phenoxyethylsulfamoyl)benzoate (PubChem CID 35609145) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 3-(2-phenoxyethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-phenoxyethylsulfamoyl)benzoate
PubChem CID35609145
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 3-(2-phenoxyethylsulfamoyl)benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2)c1
InChIInChI=1S/C16H17NO5S/c1-21-16(18)13-6-5-9-15(12-13)23(19,20)17-10-11-22-14-7-3-2-4-8-14/h2-9,12,17H,10-11H2,1H3
InChIKeyAVBNFGHEQLCXQC-UHFFFAOYSA-N
XLogP1.83
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-(3-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 34111692
methyl 3-[3-(3-methylphenoxy)propylsulfamoyl]benzoate
CID 31769281
methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 100552162
3-[(3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 43093020
methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate
CID 94612911
methyl 3-[3-(methylamino)propylsulfamoyl]benzoate
CID 43605987
(2S)-2-hydroxy-4-[(3-methoxycarbonylphenyl)sulfonylamino]butanoic acid
CID 104933997
methyl 3-(3-hydroxybutylsulfamoyl)benzoate
CID 64913335
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569
methyl 3-[[(E)-pent-3-enyl]sulfamoyl]benzoate
CID 115628671
methyl 3-(3-phenoxypropylamino)benzoate
CID 82096562
N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 35101237

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-phenoxyethylsulfamoyl)benzoate?
The IUPAC name of methyl 3-(2-phenoxyethylsulfamoyl)benzoate (CID 35609145) is methyl 3-(2-phenoxyethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 3-(2-phenoxyethylsulfamoyl)benzoate?
The canonical SMILES for methyl 3-(2-phenoxyethylsulfamoyl)benzoate is COC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2)c1.
What is the InChIKey of methyl 3-(2-phenoxyethylsulfamoyl)benzoate?
The InChIKey is AVBNFGHEQLCXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-21-16(18)13-6-5-9-15(12-13)23(19,20)17-10-11-22-14-7-3-2-4-8-14/h2-9,12,17H,10-11H2,1H3.
What are the key properties of methyl 3-(2-phenoxyethylsulfamoyl)benzoate?
methyl 3-(2-phenoxyethylsulfamoyl)benzoate has a molecular weight of 335.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-phenoxyethylsulfamoyl)benzoate is sourced from PubChem (CID 35609145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).