methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate

C17H18ClNO6S — CID 2213582

IUPACmethyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C
InChIInChI=1S/C17H18ClNO6S/c1-11-8-13(5-7-15(11)25-10-17(20)24-3)26(21,22)19-14-9-12(18)4-6-16(14)23-2/h4-9,19H,10H2,1-3H3
InChIKeyXBVBGCRTRFCRQE-UHFFFAOYSA-N
MW399.85 g/mol
LogP3.01
Rot. Bonds7

About methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate

methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate (PubChem CID 2213582) has the molecular formula C17H18ClNO6S and a molecular weight of 399.85 g/mol. Its IUPAC name is methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
PubChem CID2213582
Molecular FormulaC17H18ClNO6S
Molecular Weight399.85 g/mol
Exact Mass399.05
IUPAC Namemethyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C
InChIInChI=1S/C17H18ClNO6S/c1-11-8-13(5-7-15(11)25-10-17(20)24-3)26(21,22)19-14-9-12(18)4-6-16(14)23-2/h4-9,19H,10H2,1-3H3
InChIKeyXBVBGCRTRFCRQE-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

Analyze methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate with MolForge

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417535
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 3457801
2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
CID 3502178
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
N-[2-chloro-4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25042468
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126252916
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4619509
N-(5-chloro-2-methoxyphenyl)-4-ethoxy-3-propan-2-ylbenzenesulfonamide
CID 6456783
methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 100814404

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate (CID 2213582) is methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C.
What is the InChIKey of methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate?
The InChIKey is XBVBGCRTRFCRQE-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)19-14-9-12(18)4-6-16(14)23-2/h4-9,19H,10H2,1-3H3.
What are the key properties of methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate?
methyl 2-[4-[(5-chloro-2-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-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate is sourced from PubChem (CID 2213582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).