methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate

C15H13Cl2NO5S — CID 126120452

IUPACmethyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H13Cl2NO5S/c1-22-14(19)9-23-10-5-7-11(8-6-10)24(20,21)18-13-4-2-3-12(16)15(13)17/h2-8,18H,9H2,1H3
InChIKeyCNZMSLLOHTUADM-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.35
Rot. Bonds6

About methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate

methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate (PubChem CID 126120452) has the molecular formula C15H13Cl2NO5S and a molecular weight of 390.24 g/mol. Its IUPAC name is methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate
PubChem CID126120452
Molecular FormulaC15H13Cl2NO5S
Molecular Weight390.24 g/mol
Exact Mass388.99
IUPAC Namemethyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H13Cl2NO5S/c1-22-14(19)9-23-10-5-7-11(8-6-10)24(20,21)18-13-4-2-3-12(16)15(13)17/h2-8,18H,9H2,1H3
InChIKeyCNZMSLLOHTUADM-UHFFFAOYSA-N
XLogP3.35
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid
CID 56808465
methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126252916
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
CID 1210695
methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate
CID 17234061
methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate
CID 51063876
methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate
CID 59353036
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 46771978
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647
methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate
CID 46405073
N-(2,3-dichlorophenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152019
methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate
CID 1082948

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate (CID 126120452) is methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate?
The InChIKey is CNZMSLLOHTUADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5S/c1-22-14(19)9-23-10-5-7-11(8-6-10)24(20,21)18-13-4-2-3-12(16)15(13)17/h2-8,18H,9H2,1H3.
What are the key properties of methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate?
methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate has a molecular weight of 390.24 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 126120452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).