2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid

C11H13Cl2NO5S — CID 69321042

IUPAC2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid
SMILESCN(CCOCC(=O)O)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO5S/c1-14(5-6-19-7-10(15)16)20(17,18)9-4-2-3-8(12)11(9)13/h2-4H,5-7H2,1H3,(H,15,16)
InChIKeyFFYFBJJFDZOAIM-UHFFFAOYSA-N
MW342.20 g/mol
LogP1.72
Rot. Bonds7

About 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid

2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid (PubChem CID 69321042) has the molecular formula C11H13Cl2NO5S and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid
PubChem CID69321042
Molecular FormulaC11H13Cl2NO5S
Molecular Weight342.20 g/mol
Exact Mass340.99
IUPAC Name2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid
SMILESCN(CCOCC(=O)O)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO5S/c1-14(5-6-19-7-10(15)16)20(17,18)9-4-2-3-8(12)11(9)13/h2-4H,5-7H2,1H3,(H,15,16)
InChIKeyFFYFBJJFDZOAIM-UHFFFAOYSA-N
XLogP1.72
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2439982
2-[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]ethoxy]acetic acid
CID 59820139
2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55060829
2-[4-[[[2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetyl]-methylamino]methyl]phenyl]-4,5-dihydroimidazole-1-carboxylic acid
CID 69317874
2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
CID 57342494
2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide
CID 136534263
5-[(2-chlorophenyl)sulfonyl-methylamino]pentanoic acid
CID 69317552
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
tert-butyl 2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetate
CID 90794385
5-[(2,6-dichlorophenyl)sulfonyl-methylamino]pentanoic acid
CID 58711704
3-[(2,3-dichlorophenyl)sulfonyl-ethylamino]butanoic acid
CID 62827080

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid (CID 69321042) is 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid is CN(CCOCC(=O)O)S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid?
The InChIKey is FFYFBJJFDZOAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO5S/c1-14(5-6-19-7-10(15)16)20(17,18)9-4-2-3-8(12)11(9)13/h2-4H,5-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid?
2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid has a molecular weight of 342.20 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid is sourced from PubChem (CID 69321042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).