methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate

C17H16N2O5S — CID 100814404

IUPACmethyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1C
InChIInChI=1S/C17H16N2O5S/c1-12-8-15(6-7-16(12)24-11-17(20)23-2)25(21,22)19-14-5-3-4-13(9-14)10-18/h3-9,19H,11H2,1-2H3
InChIKeyRHHLAWWLAWQIHZ-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.22
Rot. Bonds6

About methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate

methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate (PubChem CID 100814404) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate
PubChem CID100814404
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Namemethyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1C
InChIInChI=1S/C17H16N2O5S/c1-12-8-15(6-7-16(12)24-11-17(20)23-2)25(21,22)19-14-5-3-4-13(9-14)10-18/h3-9,19H,11H2,1-2H3
InChIKeyRHHLAWWLAWQIHZ-UHFFFAOYSA-N
XLogP2.22
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 3457801
N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 110757847
methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 2213582
methyl 2-[(3-cyanophenyl)sulfamoyl]-6-methylbenzoate
CID 49186745
methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 2206278
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 91758551
2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid
CID 51127956
N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62144164

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate (CID 100814404) is methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1C.
What is the InChIKey of methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate?
The InChIKey is RHHLAWWLAWQIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-12-8-15(6-7-16(12)24-11-17(20)23-2)25(21,22)19-14-5-3-4-13(9-14)10-18/h3-9,19H,11H2,1-2H3.
What are the key properties of methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate?
methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate has a molecular weight of 360.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate is sourced from PubChem (CID 100814404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).