N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide

C20H23ClN2O5S — CID 2545944

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O5S/c1-22(10-15-28-18-6-4-17(21)5-7-18)20(24)16-2-8-19(9-3-16)29(25,26)23-11-13-27-14-12-23/h2-9H,10-15H2,1H3
InChIKeyHQBMSRKSCRUKIE-UHFFFAOYSA-N
MW438.93 g/mol
LogP2.51
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2545944) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2545944
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O5S/c1-22(10-15-28-18-6-4-17(21)5-7-18)20(24)16-2-8-19(9-3-16)29(25,26)23-11-13-27-14-12-23/h2-9H,10-15H2,1H3
InChIKeyHQBMSRKSCRUKIE-UHFFFAOYSA-N
XLogP2.51
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide (CID 2545944) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HQBMSRKSCRUKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-22(10-15-28-18-6-4-17(21)5-7-18)20(24)16-2-8-19(9-3-16)29(25,26)23-11-13-27-14-12-23/h2-9H,10-15H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 438.93 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2545944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).