2-[4-(tert-butylsulfamoyl)phenoxy]acetate

C12H16NO5S- — CID 7321312

IUPAC2-[4-(tert-butylsulfamoyl)phenoxy]acetate
SMILESCC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C12H17NO5S/c1-12(2,3)13-19(16,17)10-6-4-9(5-7-10)18-8-11(14)15/h4-7,13H,8H2,1-3H3,(H,14,15)/p-1
InChIKeyUIOOIMNETKRGMK-UHFFFAOYSA-M
MW286.33 g/mol
LogP-0.11
Rot. Bonds5

About 2-[4-(tert-butylsulfamoyl)phenoxy]acetate

2-[4-(tert-butylsulfamoyl)phenoxy]acetate (PubChem CID 7321312) has the molecular formula C12H16NO5S- and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Name2-[4-(tert-butylsulfamoyl)phenoxy]acetate
PubChem CID7321312
Molecular FormulaC12H16NO5S-
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name2-[4-(tert-butylsulfamoyl)phenoxy]acetate
SMILESCC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C12H17NO5S/c1-12(2,3)13-19(16,17)10-6-4-9(5-7-10)18-8-11(14)15/h4-7,13H,8H2,1-3H3,(H,14,15)/p-1
InChIKeyUIOOIMNETKRGMK-UHFFFAOYSA-M
XLogP-0.11
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
2-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]acetate
CID 6978471
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzenesulfonamide
CID 118117304
2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 1015592
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905
N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093244
lithium 2-(4-methylphenoxy)acetate
CID 19205665
2-[4-(tert-butylsulfamoyl)phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126202386
N-tert-butyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 126201913
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61261369
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 9108432
N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide
CID 4935093

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylsulfamoyl)phenoxy]acetate?
The IUPAC name of 2-[4-(tert-butylsulfamoyl)phenoxy]acetate (CID 7321312) is 2-[4-(tert-butylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for 2-[4-(tert-butylsulfamoyl)phenoxy]acetate?
The canonical SMILES for 2-[4-(tert-butylsulfamoyl)phenoxy]acetate is CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1.
What is the InChIKey of 2-[4-(tert-butylsulfamoyl)phenoxy]acetate?
The InChIKey is UIOOIMNETKRGMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17NO5S/c1-12(2,3)13-19(16,17)10-6-4-9(5-7-10)18-8-11(14)15/h4-7,13H,8H2,1-3H3,(H,14,15)/p-1.
What are the key properties of 2-[4-(tert-butylsulfamoyl)phenoxy]acetate?
2-[4-(tert-butylsulfamoyl)phenoxy]acetate has a molecular weight of 286.33 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 7321312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).