methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate

C15H13ClFNO5S — CID 1210695

IUPACmethyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H13ClFNO5S/c1-22-15(19)9-23-11-3-5-12(6-4-11)24(20,21)18-10-2-7-14(17)13(16)8-10/h2-8,18H,9H2,1H3
InChIKeyCAEVTJXJUMCKLV-UHFFFAOYSA-N
MW373.79 g/mol
LogP2.83
Rot. Bonds6

About methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate

methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate (PubChem CID 1210695) has the molecular formula C15H13ClFNO5S and a molecular weight of 373.79 g/mol. Its IUPAC name is methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
PubChem CID1210695
Molecular FormulaC15H13ClFNO5S
Molecular Weight373.79 g/mol
Exact Mass373.02
IUPAC Namemethyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H13ClFNO5S/c1-22-15(19)9-23-11-3-5-12(6-4-11)24(20,21)18-10-2-7-14(17)13(16)8-10/h2-8,18H,9H2,1H3
InChIKeyCAEVTJXJUMCKLV-UHFFFAOYSA-N
XLogP2.83
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]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

methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
methyl 2-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenoxy]acetate
CID 47062781
2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 169440658
methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 2206278
methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 126120452
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
CID 1308869
methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 3457801
methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126252916
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
CID 7516472

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate (CID 1210695) is methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate?
The InChIKey is CAEVTJXJUMCKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO5S/c1-22-15(19)9-23-11-3-5-12(6-4-11)24(20,21)18-10-2-7-14(17)13(16)8-10/h2-8,18H,9H2,1H3.
What are the key properties of methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate?
methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate has a molecular weight of 373.79 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 1210695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).