ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate

C13H17ClFNO4S — CID 61022883

IUPACethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H17ClFNO4S/c1-4-20-12(17)8-16(9(2)3)21(18,19)11-7-5-6-10(14)13(11)15/h5-7,9H,4,8H2,1-3H3
InChIKeyDTEONKMEEKLYEX-UHFFFAOYSA-N
MW337.80 g/mol
LogP2.44
Rot. Bonds6

About ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate

ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate (PubChem CID 61022883) has the molecular formula C13H17ClFNO4S and a molecular weight of 337.80 g/mol. Its IUPAC name is ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
PubChem CID61022883
Molecular FormulaC13H17ClFNO4S
Molecular Weight337.80 g/mol
Exact Mass337.06
IUPAC Nameethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H17ClFNO4S/c1-4-20-12(17)8-16(9(2)3)21(18,19)11-7-5-6-10(14)13(11)15/h5-7,9H,4,8H2,1-3H3
InChIKeyDTEONKMEEKLYEX-UHFFFAOYSA-N
XLogP2.44
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829469
3-chloro-2-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916249
ethyl 2-[(2-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
CID 61127209
methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate
CID 54979377
ethyl 2-[(2,5-dimethylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 61021456
ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate
CID 47309506
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 54901433
ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate
CID 81265540
ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate
CID 61047092
ethyl 2-[(3-chloro-2-fluorobenzoyl)-cyclopropylamino]acetate
CID 80977006
ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate
CID 171623851
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 61022668

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate (CID 61022883) is ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)c1cccc(Cl)c1F.
What is the InChIKey of ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate?
The InChIKey is DTEONKMEEKLYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO4S/c1-4-20-12(17)8-16(9(2)3)21(18,19)11-7-5-6-10(14)13(11)15/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate?
ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate has a molecular weight of 337.80 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate is sourced from PubChem (CID 61022883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).