methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate

C21H18ClNO6S — CID 126252916

IUPACmethyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C21H18ClNO6S/c1-27-21(24)14-28-16-8-10-18(11-9-16)30(25,26)23-19-13-15(22)7-12-20(19)29-17-5-3-2-4-6-17/h2-13,23H,14H2,1H3
InChIKeyATFNQVNQPAINNG-UHFFFAOYSA-N
MW447.90 g/mol
LogP4.48
Rot. Bonds8

About methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate

methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate (PubChem CID 126252916) has the molecular formula C21H18ClNO6S and a molecular weight of 447.90 g/mol. Its IUPAC name is methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
PubChem CID126252916
Molecular FormulaC21H18ClNO6S
Molecular Weight447.90 g/mol
Exact Mass447.05
IUPAC Namemethyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C21H18ClNO6S/c1-27-21(24)14-28-16-8-10-18(11-9-16)30(25,26)23-19-13-15(22)7-12-20(19)29-17-5-3-2-4-6-17/h2-13,23H,14H2,1H3
InChIKeyATFNQVNQPAINNG-UHFFFAOYSA-N
XLogP4.48
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126383436
3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 21372759
N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 9172981
2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126235503
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370059
N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126251916
methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 2213582
3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid
CID 45464935
methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 126120452
methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
CID 1210695
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate (CID 126252916) is methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1.
What is the InChIKey of methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate?
The InChIKey is ATFNQVNQPAINNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO6S/c1-27-21(24)14-28-16-8-10-18(11-9-16)30(25,26)23-19-13-15(22)7-12-20(19)29-17-5-3-2-4-6-17/h2-13,23H,14H2,1H3.
What are the key properties of methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate?
methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate has a molecular weight of 447.90 g/mol, XLogP of 4.48, 8 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-phenoxyphenyl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 126252916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).