methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate

C17H18ClNO6S — CID 3457801

IUPACmethyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1C
InChIInChI=1S/C17H18ClNO6S/c1-11-8-13(5-7-15(11)25-10-17(20)24-3)26(21,22)19-12-4-6-16(23-2)14(18)9-12/h4-9,19H,10H2,1-3H3
InChIKeyDWFSBBIXZGFNEC-UHFFFAOYSA-N
MW399.85 g/mol
LogP3.01
Rot. Bonds7

About methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate

methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate (PubChem CID 3457801) has the molecular formula C17H18ClNO6S and a molecular weight of 399.85 g/mol. Its IUPAC name is methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
PubChem CID3457801
Molecular FormulaC17H18ClNO6S
Molecular Weight399.85 g/mol
Exact Mass399.05
IUPAC Namemethyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1C
InChIInChI=1S/C17H18ClNO6S/c1-11-8-13(5-7-15(11)25-10-17(20)24-3)26(21,22)19-12-4-6-16(23-2)14(18)9-12/h4-9,19H,10H2,1-3H3
InChIKeyDWFSBBIXZGFNEC-UHFFFAOYSA-N
XLogP3.01
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 2206278
methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 2213582
N-(3-chloro-4-methoxyphenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243560
methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 100814404
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 100800533
methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
CID 1210695
2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28555570
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate (CID 3457801) is methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1C.
What is the InChIKey of methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate?
The InChIKey is DWFSBBIXZGFNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO6S/c1-11-8-13(5-7-15(11)25-10-17(20)24-3)26(21,22)19-12-4-6-16(23-2)14(18)9-12/h4-9,19H,10H2,1-3H3.
What are the key properties of methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate?
methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate has a molecular weight of 399.85 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate is sourced from PubChem (CID 3457801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).