N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide

C25H26ClN3O5S — CID 3503852

IUPACN-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C25H26ClN3O5S/c1-2-34-19-9-7-18(8-10-19)25(30)27-23-17-20(11-12-24(23)29-13-15-33-16-14-29)35(31,32)28-22-6-4-3-5-21(22)26/h3-12,17,28H,2,13-16H2,1H3,(H,27,30)
InChIKeyHZPUUWJSWPHYBC-UHFFFAOYSA-N
MW516.02 g/mol
LogP4.63
Rot. Bonds8

About N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide

N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide (PubChem CID 3503852) has the molecular formula C25H26ClN3O5S and a molecular weight of 516.02 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide
PubChem CID3503852
Molecular FormulaC25H26ClN3O5S
Molecular Weight516.02 g/mol
Exact Mass515.13
IUPAC NameN-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C25H26ClN3O5S/c1-2-34-19-9-7-18(8-10-19)25(30)27-23-17-20(11-12-24(23)29-13-15-33-16-14-29)35(31,32)28-22-6-4-3-5-21(22)26/h3-12,17,28H,2,13-16H2,1H3,(H,27,30)
InChIKeyHZPUUWJSWPHYBC-UHFFFAOYSA-N
XLogP4.63
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.02
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide?
The IUPAC name of N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide (CID 3503852) is N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide?
The InChIKey is HZPUUWJSWPHYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O5S/c1-2-34-19-9-7-18(8-10-19)25(30)27-23-17-20(11-12-24(23)29-13-15-33-16-14-29)35(31,32)28-22-6-4-3-5-21(22)26/h3-12,17,28H,2,13-16H2,1H3,(H,27,30).
What are the key properties of N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide?
N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide has a molecular weight of 516.02 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide is sourced from PubChem (CID 3503852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).