4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide

C17H17Cl2NO4S — CID 31289866

IUPAC4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C17H17Cl2NO4S/c1-20(9-10-24-14-6-4-13(18)5-7-14)17(21)12-3-8-15(19)16(11-12)25(2,22)23/h3-8,11H,9-10H2,1-2H3
InChIKeyQIGBKYVSVLMBPL-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.55
Rot. Bonds6

About 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide

4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide (PubChem CID 31289866) has the molecular formula C17H17Cl2NO4S and a molecular weight of 402.30 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
PubChem CID31289866
Molecular FormulaC17H17Cl2NO4S
Molecular Weight402.30 g/mol
Exact Mass401.03
IUPAC Name4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C17H17Cl2NO4S/c1-20(9-10-24-14-6-4-13(18)5-7-14)17(21)12-3-8-15(19)16(11-12)25(2,22)23/h3-8,11H,9-10H2,1-2H3
InChIKeyQIGBKYVSVLMBPL-UHFFFAOYSA-N
XLogP3.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960780
N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074
4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
CID 60589214
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 27795629
N-[2-(4-chlorophenoxy)ethyl]-4-(methoxysulfamoyl)-N-methylbenzamide
CID 55834326
4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 31213510
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691977
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 26994062
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-nitrobenzamide
CID 27795603
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9429656

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide (CID 31289866) is 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide?
The InChIKey is QIGBKYVSVLMBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4S/c1-20(9-10-24-14-6-4-13(18)5-7-14)17(21)12-3-8-15(19)16(11-12)25(2,22)23/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide?
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide has a molecular weight of 402.30 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 31289866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).