2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide

C27H22Cl2N2O5S — CID 126260217

IUPAC2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C27H22Cl2N2O5S/c28-20-11-13-26(36-21-9-5-2-6-10-21)24(15-20)31-27(32)18-35-25-14-12-22(16-23(25)29)37(33,34)30-17-19-7-3-1-4-8-19/h1-16,30H,17-18H2,(H,31,32)
InChIKeyHKCPUSLBFGVSEA-UHFFFAOYSA-N
MW557.46 g/mol
LogP6.28
Rot. Bonds10

About 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide

2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide (PubChem CID 126260217) has the molecular formula C27H22Cl2N2O5S and a molecular weight of 557.46 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
PubChem CID126260217
Molecular FormulaC27H22Cl2N2O5S
Molecular Weight557.46 g/mol
Exact Mass556.06
IUPAC Name2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C27H22Cl2N2O5S/c28-20-11-13-26(36-21-9-5-2-6-10-21)24(15-20)31-27(32)18-35-25-14-12-22(16-23(25)29)37(33,34)30-17-19-7-3-1-4-8-19/h1-16,30H,17-18H2,(H,31,32)
InChIKeyHKCPUSLBFGVSEA-UHFFFAOYSA-N
XLogP6.28
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.46
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126235503
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(2-ethylphenyl)acetamide
CID 126279616
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126397596
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126272811
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
CID 7342391
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
CID 3969964
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 124554917
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126274272
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 1090581
N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126251916
N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide
CID 18277509
N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126383436

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide (CID 126260217) is 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide is O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide?
The InChIKey is HKCPUSLBFGVSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2N2O5S/c28-20-11-13-26(36-21-9-5-2-6-10-21)24(15-20)31-27(32)18-35-25-14-12-22(16-23(25)29)37(33,34)30-17-19-7-3-1-4-8-19/h1-16,30H,17-18H2,(H,31,32).
What are the key properties of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide?
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide has a molecular weight of 557.46 g/mol, XLogP of 6.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide is sourced from PubChem (CID 126260217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).