methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate

C16H18N2O6S — CID 51063876

IUPACmethyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2N)cc1
InChIInChI=1S/C16H18N2O6S/c1-22-12-5-8-15(14(17)9-12)18-25(20,21)13-6-3-11(4-7-13)24-10-16(19)23-2/h3-9,18H,10,17H2,1-2H3
InChIKeyIDMRSIDLCAZURG-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.63
Rot. Bonds7

About methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate

methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate (PubChem CID 51063876) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate
PubChem CID51063876
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Namemethyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2N)cc1
InChIInChI=1S/C16H18N2O6S/c1-22-12-5-8-15(14(17)9-12)18-25(20,21)13-6-3-11(4-7-13)24-10-16(19)23-2/h3-9,18H,10,17H2,1-2H3
InChIKeyIDMRSIDLCAZURG-UHFFFAOYSA-N
XLogP1.63
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 11696675
methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 126120452
N-(2-amino-4-ethoxyphenyl)benzenesulfonamide
CID 91687393
ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
CID 1308869
ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126143243
methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126252916
methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
CID 1210695
methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate
CID 17234061
methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate
CID 126134738
methyl 3-[4-[(2,3,4-trifluorophenyl)sulfamoyl]phenoxy]propanoate
CID 47062697

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate (CID 51063876) is methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2N)cc1.
What is the InChIKey of methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate?
The InChIKey is IDMRSIDLCAZURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-22-12-5-8-15(14(17)9-12)18-25(20,21)13-6-3-11(4-7-13)24-10-16(19)23-2/h3-9,18H,10,17H2,1-2H3.
What are the key properties of methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate?
methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate has a molecular weight of 366.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 51063876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).