2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate

C12H16NO5S- — CID 6957905

IUPAC2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C12H17NO5S/c1-3-9(2)13-19(16,17)11-6-4-10(5-7-11)18-8-12(14)15/h4-7,9,13H,3,8H2,1-2H3,(H,14,15)/p-1/t9-/m0/s1
InChIKeyYZOJPDUHDGBYMV-VIFPVBQESA-M
MW286.33 g/mol
LogP-0.11
Rot. Bonds7

About 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate

2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate (PubChem CID 6957905) has the molecular formula C12H16NO5S- and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
PubChem CID6957905
Molecular FormulaC12H16NO5S-
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C12H17NO5S/c1-3-9(2)13-19(16,17)11-6-4-10(5-7-11)18-8-12(14)15/h4-7,9,13H,3,8H2,1-2H3,(H,14,15)/p-1/t9-/m0/s1
InChIKeyYZOJPDUHDGBYMV-VIFPVBQESA-M
XLogP-0.11
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 171317631
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
CID 126213719
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 126205010
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide
CID 1307702
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2-phenylethyl)acetamide
CID 7320182
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 126205366
2-[4-(tert-butylsulfamoyl)phenoxy]acetate
CID 7321312
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate?
The IUPAC name of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate (CID 6957905) is 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate is CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1.
What is the InChIKey of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate?
The InChIKey is YZOJPDUHDGBYMV-VIFPVBQESA-M. The full InChI is InChI=1S/C12H17NO5S/c1-3-9(2)13-19(16,17)11-6-4-10(5-7-11)18-8-12(14)15/h4-7,9,13H,3,8H2,1-2H3,(H,14,15)/p-1/t9-/m0/s1.
What are the key properties of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate?
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate has a molecular weight of 286.33 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 6957905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).