2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide

C23H24ClN3O6S2 — CID 43875156

IUPAC2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C23H24ClN3O6S2/c1-27(2)35(31,32)19-10-8-17(9-11-19)15-25-23(28)16-33-22-13-12-20(14-21(22)24)34(29,30)26-18-6-4-3-5-7-18/h3-14,26H,15-16H2,1-2H3,(H,25,28)
InChIKeyNXIQMLMOBDZBBT-UHFFFAOYSA-N
MW538.05 g/mol
LogP3.09
Rot. Bonds10

About 2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide

2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 43875156) has the molecular formula C23H24ClN3O6S2 and a molecular weight of 538.05 g/mol. Its IUPAC name is 2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
PubChem CID43875156
Molecular FormulaC23H24ClN3O6S2
Molecular Weight538.05 g/mol
Exact Mass537.08
IUPAC Name2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C23H24ClN3O6S2/c1-27(2)35(31,32)19-10-8-17(9-11-19)15-25-23(28)16-33-22-13-12-20(14-21(22)24)34(29,30)26-18-6-4-3-5-7-18/h3-14,26H,15-16H2,1-2H3,(H,25,28)
InChIKeyNXIQMLMOBDZBBT-UHFFFAOYSA-N
XLogP3.09
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.05
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43875173
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 43875130
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542
3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide
CID 2825046
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 1090581
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126277429
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
CID 7342391
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide (CID 43875156) is 2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)cc1.
What is the InChIKey of 2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is NXIQMLMOBDZBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O6S2/c1-27(2)35(31,32)19-10-8-17(9-11-19)15-25-23(28)16-33-22-13-12-20(14-21(22)24)34(29,30)26-18-6-4-3-5-7-18/h3-14,26H,15-16H2,1-2H3,(H,25,28).
What are the key properties of 2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 538.05 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 43875156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).