methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate

C15H17NO6S — CID 100686080

IUPACmethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1OC
InChIInChI=1S/C15H17NO6S/c1-16(10-11-5-4-8-22-11)23(18,19)12-6-7-13(15(17)21-3)14(9-12)20-2/h4-9H,10H2,1-3H3
InChIKeyAPUFKNHTFQHQGN-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.90
Rot. Bonds6

About methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate

methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate (PubChem CID 100686080) has the molecular formula C15H17NO6S and a molecular weight of 339.37 g/mol. Its IUPAC name is methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate
PubChem CID100686080
Molecular FormulaC15H17NO6S
Molecular Weight339.37 g/mol
Exact Mass339.08
IUPAC Namemethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1OC
InChIInChI=1S/C15H17NO6S/c1-16(10-11-5-4-8-22-11)23(18,19)12-6-7-13(15(17)21-3)14(9-12)20-2/h4-9H,10H2,1-3H3
InChIKeyAPUFKNHTFQHQGN-UHFFFAOYSA-N
XLogP1.90
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride
CID 120712229
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 7656179
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 18148317
2-[bis(furan-2-ylmethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 26603771
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 25469575
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525

Frequently Asked Questions

What is the IUPAC name of methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate?
The IUPAC name of methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate (CID 100686080) is methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate is COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1OC.
What is the InChIKey of methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate?
The InChIKey is APUFKNHTFQHQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6S/c1-16(10-11-5-4-8-22-11)23(18,19)12-6-7-13(15(17)21-3)14(9-12)20-2/h4-9H,10H2,1-3H3.
What are the key properties of methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate?
methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate has a molecular weight of 339.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate is sourced from PubChem (CID 100686080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).