methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate

C16H23NO5S — CID 893472

IUPACmethyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C16H23NO5S/c1-21-16(18)12-22-14-8-10-15(11-9-14)23(19,20)17-13-6-4-2-3-5-7-13/h8-11,13,17H,2-7,12H2,1H3
InChIKeyUDSNLLNSWMVAGV-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.24
Rot. Bonds6

About methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate

methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate (PubChem CID 893472) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate
PubChem CID893472
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Namemethyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C16H23NO5S/c1-21-16(18)12-22-14-8-10-15(11-9-14)23(19,20)17-13-6-4-2-3-5-7-13/h8-11,13,17H,2-7,12H2,1H3
InChIKeyUDSNLLNSWMVAGV-UHFFFAOYSA-N
XLogP2.24
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate (CID 893472) is methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate?
The InChIKey is UDSNLLNSWMVAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-21-16(18)12-22-14-8-10-15(11-9-14)23(19,20)17-13-6-4-2-3-5-7-13/h8-11,13,17H,2-7,12H2,1H3.
What are the key properties of methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate?
methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate has a molecular weight of 341.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(cycloheptylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 893472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).