N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide

C21H18Cl2N2O4S — CID 2332931

IUPACN-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2N2O4S/c1-25(30(27,28)20-11-5-15(22)6-12-20)18-7-9-19(10-8-18)29-14-21(26)24-17-4-2-3-16(23)13-17/h2-13H,14H2,1H3,(H,24,26)
InChIKeyRZPZSMDHLBOAMX-UHFFFAOYSA-N
MW465.36 g/mol
LogP4.84
Rot. Bonds7

About N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide

N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide (PubChem CID 2332931) has the molecular formula C21H18Cl2N2O4S and a molecular weight of 465.36 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
PubChem CID2332931
Molecular FormulaC21H18Cl2N2O4S
Molecular Weight465.36 g/mol
Exact Mass464.04
IUPAC NameN-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2N2O4S/c1-25(30(27,28)20-11-5-15(22)6-12-20)18-7-9-19(10-8-18)29-14-21(26)24-17-4-2-3-16(23)13-17/h2-13H,14H2,1H3,(H,24,26)
InChIKeyRZPZSMDHLBOAMX-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

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 5059176
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chlorophenyl)acetamide
CID 17247126
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3526342
2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 42989070
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetate
CID 2340547
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4884299
2-(4-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 42989226
2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2632951
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide
CID 27447560

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide (CID 2332931) is N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide is CN(c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide?
The InChIKey is RZPZSMDHLBOAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4S/c1-25(30(27,28)20-11-5-15(22)6-12-20)18-7-9-19(10-8-18)29-14-21(26)24-17-4-2-3-16(23)13-17/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide?
N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]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 N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide is sourced from PubChem (CID 2332931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).