ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate

C11H14ClNO5S — CID 54921408

IUPACethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C11H14ClNO5S/c1-3-18-11(14)7-13-19(15,16)10-5-4-8(12)6-9(10)17-2/h4-6,13H,3,7H2,1-2H3
InChIKeyKRRLQBJQHNEUQI-UHFFFAOYSA-N
MW307.76 g/mol
LogP1.19
Rot. Bonds6

About ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate

ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate (PubChem CID 54921408) has the molecular formula C11H14ClNO5S and a molecular weight of 307.76 g/mol. Its IUPAC name is ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate
PubChem CID54921408
Molecular FormulaC11H14ClNO5S
Molecular Weight307.76 g/mol
Exact Mass307.03
IUPAC Nameethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C11H14ClNO5S/c1-3-18-11(14)7-13-19(15,16)10-5-4-8(12)6-9(10)17-2/h4-6,13H,3,7H2,1-2H3
InChIKeyKRRLQBJQHNEUQI-UHFFFAOYSA-N
XLogP1.19
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanoate
CID 60716385
ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921322
ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
CID 60812241
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815
propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 3853421
3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936690
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid
CID 60812376
1-[[(4-chloro-2-methoxyphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445500

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate (CID 54921408) is ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1ccc(Cl)cc1OC.
What is the InChIKey of ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate?
The InChIKey is KRRLQBJQHNEUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-3-18-11(14)7-13-19(15,16)10-5-4-8(12)6-9(10)17-2/h4-6,13H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate?
ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate has a molecular weight of 307.76 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 54921408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).