methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate

C16H17NO7S — CID 55475256

IUPACmethyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate
SMILESCCNS(=O)(=O)c1cccc(C(=O)OCc2ccoc2C(=O)OC)c1
InChIInChI=1S/C16H17NO7S/c1-3-17-25(20,21)13-6-4-5-11(9-13)15(18)24-10-12-7-8-23-14(12)16(19)22-2/h4-9,17H,3,10H2,1-2H3
InChIKeyRGPPLNVRIREFIH-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.72
Rot. Bonds7

About methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate

methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate (PubChem CID 55475256) has the molecular formula C16H17NO7S and a molecular weight of 367.38 g/mol. Its IUPAC name is methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate
PubChem CID55475256
Molecular FormulaC16H17NO7S
Molecular Weight367.38 g/mol
Exact Mass367.07
IUPAC Namemethyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate
SMILESCCNS(=O)(=O)c1cccc(C(=O)OCc2ccoc2C(=O)OC)c1
InChIInChI=1S/C16H17NO7S/c1-3-17-25(20,21)13-6-4-5-11(9-13)15(18)24-10-12-7-8-23-14(12)16(19)22-2/h4-9,17H,3,10H2,1-2H3
InChIKeyRGPPLNVRIREFIH-UHFFFAOYSA-N
XLogP1.72
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(6-chloro-3-pyridinyl)methyl 3-(ethylsulfamoyl)benzoate
CID 30749513
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
CID 55312971
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-(ethylsulfamoyl)benzoate
CID 30599756
3-(benzenesulfonyl)propyl 3-(ethylsulfamoyl)benzoate
CID 55821713
(2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate
CID 43023400
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(ethylsulfamoyl)benzoate
CID 30767092
methyl 3-[(2,5-dimethylbenzoyl)oxymethyl]furan-2-carboxylate
CID 55458733
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate
CID 42900495
(1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate
CID 30764204
methyl 3-[(2-ethyl-2-hydroxybutyl)sulfamoyl]benzoate
CID 65113181
methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate
CID 100719949
3-[(3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 43093020

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate (CID 55475256) is methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate is CCNS(=O)(=O)c1cccc(C(=O)OCc2ccoc2C(=O)OC)c1.
What is the InChIKey of methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is RGPPLNVRIREFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO7S/c1-3-17-25(20,21)13-6-4-5-11(9-13)15(18)24-10-12-7-8-23-14(12)16(19)22-2/h4-9,17H,3,10H2,1-2H3.
What are the key properties of methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate?
methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 367.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 55475256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).