ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate

C16H22ClNO5S — CID 143873808

IUPACethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate
SMILESCCOC(=O)COCCN(C1CC1)S(=O)(=O)c1c(C)cccc1Cl
InChIInChI=1S/C16H22ClNO5S/c1-3-23-15(19)11-22-10-9-18(13-7-8-13)24(20,21)16-12(2)5-4-6-14(16)17/h4-6,13H,3,7-11H2,1-2H3
InChIKeyYQSMRSVZQKBFGG-UHFFFAOYSA-N
MW375.87 g/mol
LogP2.38
Rot. Bonds9

About ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate

ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate (PubChem CID 143873808) has the molecular formula C16H22ClNO5S and a molecular weight of 375.87 g/mol. Its IUPAC name is ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate
PubChem CID143873808
Molecular FormulaC16H22ClNO5S
Molecular Weight375.87 g/mol
Exact Mass375.09
IUPAC Nameethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate
SMILESCCOC(=O)COCCN(C1CC1)S(=O)(=O)c1c(C)cccc1Cl
InChIInChI=1S/C16H22ClNO5S/c1-3-23-15(19)11-22-10-9-18(13-7-8-13)24(20,21)16-12(2)5-4-6-14(16)17/h4-6,13H,3,7-11H2,1-2H3
InChIKeyYQSMRSVZQKBFGG-UHFFFAOYSA-N
XLogP2.38
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate (CID 143873808) is ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate is CCOC(=O)COCCN(C1CC1)S(=O)(=O)c1c(C)cccc1Cl.
What is the InChIKey of ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate?
The InChIKey is YQSMRSVZQKBFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO5S/c1-3-23-15(19)11-22-10-9-18(13-7-8-13)24(20,21)16-12(2)5-4-6-14(16)17/h4-6,13H,3,7-11H2,1-2H3.
What are the key properties of ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate?
ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate has a molecular weight of 375.87 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-chloro-6-methylphenyl)sulfonyl-cyclopropylamino]ethoxy]acetate is sourced from PubChem (CID 143873808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).