ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate

C12H17NO5S — CID 61457351

IUPACethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C12H17NO5S/c1-3-18-12(15)8-19(16,17)13-11-7-5-4-6-10(11)9(2)14/h4-7,9,13-14H,3,8H2,1-2H3
InChIKeyUTCQLYIOOLIQTA-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.04
Rot. Bonds6

About ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate

ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate (PubChem CID 61457351) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate
PubChem CID61457351
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Nameethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C12H17NO5S/c1-3-18-12(15)8-19(16,17)13-11-7-5-4-6-10(11)9(2)14/h4-7,9,13-14H,3,8H2,1-2H3
InChIKeyUTCQLYIOOLIQTA-UHFFFAOYSA-N
XLogP1.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211
ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate
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ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
3-[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]phenyl]propanoic acid
CID 107272611
ethyl 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfamoyl]acetate
CID 61457466
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol
CID 114815631
ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
methyl 2-[(2-aminophenyl)sulfamoyl]acetate
CID 14002853
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate?
The IUPAC name of ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate (CID 61457351) is ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1ccccc1C(C)O.
What is the InChIKey of ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate?
The InChIKey is UTCQLYIOOLIQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-3-18-12(15)8-19(16,17)13-11-7-5-4-6-10(11)9(2)14/h4-7,9,13-14H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate?
ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate has a molecular weight of 287.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate is sourced from PubChem (CID 61457351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).