methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate

C11H13ClFNO4S — CID 54979377

IUPACmethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO4S/c1-3-14(7-10(15)18-2)19(16,17)9-6-4-5-8(12)11(9)13/h4-6H,3,7H2,1-2H3
InChIKeyQPRYXJUGCWUOBH-UHFFFAOYSA-N
MW309.75 g/mol
LogP1.66
Rot. Bonds5

About methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate

methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate (PubChem CID 54979377) has the molecular formula C11H13ClFNO4S and a molecular weight of 309.75 g/mol. Its IUPAC name is methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate
PubChem CID54979377
Molecular FormulaC11H13ClFNO4S
Molecular Weight309.75 g/mol
Exact Mass309.02
IUPAC Namemethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO4S/c1-3-14(7-10(15)18-2)19(16,17)9-6-4-5-8(12)11(9)13/h4-6H,3,7H2,1-2H3
InChIKeyQPRYXJUGCWUOBH-UHFFFAOYSA-N
XLogP1.66
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
CID 61384024
2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 39621377
methyl 2-[(5-chloro-2-methylphenyl)sulfonyl-ethylamino]acetate
CID 54979246
ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
CID 61022883
methyl 2-[(2-bromo-4-fluorophenyl)sulfonyl-ethylamino]acetate
CID 61384576
methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate
CID 54998458
methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 80979404
2-[(3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 39632702
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829469
methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258786
methyl 3-[ethyl-(2-fluorophenyl)sulfonylamino]propanoate
CID 51891975

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate?
The IUPAC name of methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate (CID 54979377) is methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate?
The canonical SMILES for methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate is CCN(CC(=O)OC)S(=O)(=O)c1cccc(Cl)c1F.
What is the InChIKey of methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate?
The InChIKey is QPRYXJUGCWUOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO4S/c1-3-14(7-10(15)18-2)19(16,17)9-6-4-5-8(12)11(9)13/h4-6H,3,7H2,1-2H3.
What are the key properties of methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate?
methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate has a molecular weight of 309.75 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate is sourced from PubChem (CID 54979377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).