2-[(4-ethoxyphenyl)sulfonylamino]acetate

C10H12NO5S- — CID 4244055

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]acetate
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)[O-])cc1
InChIInChI=1S/C10H13NO5S/c1-2-16-8-3-5-9(6-4-8)17(14,15)11-7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)/p-1
InChIKeyXJIQFMHJWKKCRK-UHFFFAOYSA-M
MW258.27 g/mol
LogP-0.89
Rot. Bonds6

About 2-[(4-ethoxyphenyl)sulfonylamino]acetate

2-[(4-ethoxyphenyl)sulfonylamino]acetate (PubChem CID 4244055) has the molecular formula C10H12NO5S- and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]acetate
PubChem CID4244055
Molecular FormulaC10H12NO5S-
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]acetate
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)[O-])cc1
InChIInChI=1S/C10H13NO5S/c1-2-16-8-3-5-9(6-4-8)17(14,15)11-7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)/p-1
InChIKeyXJIQFMHJWKKCRK-UHFFFAOYSA-M
XLogP-0.89
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl) 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 110670646
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
4-ethoxy-N-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9492767
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 9342508
N-(4-ethoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998900
2-[(4-fluorophenyl)sulfonylamino]acetate
CID 3258763
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
CID 43237660
2-[[(4-ethoxyphenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65220960
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]acetate?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]acetate (CID 4244055) is 2-[(4-ethoxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]acetate?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]acetate is CCOc1ccc(S(=O)(=O)NCC(=O)[O-])cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]acetate?
The InChIKey is XJIQFMHJWKKCRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13NO5S/c1-2-16-8-3-5-9(6-4-8)17(14,15)11-7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)/p-1.
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]acetate?
2-[(4-ethoxyphenyl)sulfonylamino]acetate has a molecular weight of 258.27 g/mol, XLogP of -0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 4244055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).