2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide

C21H18Cl2N2O4S — CID 17247035

IUPAC2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O4S/c1-25(30(27,28)17-6-3-2-4-7-17)15-10-12-16(13-11-15)29-14-20(26)24-19-9-5-8-18(22)21(19)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyABLCBRWQTAFFHG-UHFFFAOYSA-N
MW465.36 g/mol
LogP4.84
Rot. Bonds7

About 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide

2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 17247035) has the molecular formula C21H18Cl2N2O4S and a molecular weight of 465.36 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide
PubChem CID17247035
Molecular FormulaC21H18Cl2N2O4S
Molecular Weight465.36 g/mol
Exact Mass464.04
IUPAC Name2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O4S/c1-25(30(27,28)17-6-3-2-4-7-17)15-10-12-16(13-11-15)29-14-20(26)24-19-9-5-8-18(22)21(19)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyABLCBRWQTAFFHG-UHFFFAOYSA-N
XLogP4.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128451
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 92649114
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 92649117
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chloro-2-methylphenyl)acetamide
CID 17247131
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide
CID 17247085
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17247048
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
CID 4882629
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083
N-(2,3-dichlorophenyl)-2-(4-iodophenoxy)acetamide
CID 55325965
N-(2,3-dichlorophenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152019
N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 2332931

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide (CID 17247035) is 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide is CN(c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is ABLCBRWQTAFFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4S/c1-25(30(27,28)17-6-3-2-4-7-17)15-10-12-16(13-11-15)29-14-20(26)24-19-9-5-8-18(22)21(19)23/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide?
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 465.36 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 17247035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).