2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide

C22H28ClN3O5S — CID 24817908

IUPAC2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C22H28ClN3O5S/c1-25(20-6-3-4-7-21(20)30-2)32(28,29)17-8-9-19(23)18(16-17)22(27)24-10-5-11-26-12-14-31-15-13-26/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,27)
InChIKeyPSSIRJPJZREOFQ-UHFFFAOYSA-N
MW482.00 g/mol
LogP2.63
Rot. Bonds9

About 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide

2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 24817908) has the molecular formula C22H28ClN3O5S and a molecular weight of 482.00 g/mol. Its IUPAC name is 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID24817908
Molecular FormulaC22H28ClN3O5S
Molecular Weight482.00 g/mol
Exact Mass481.14
IUPAC Name2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C22H28ClN3O5S/c1-25(20-6-3-4-7-21(20)30-2)32(28,29)17-8-9-19(23)18(16-17)22(27)24-10-5-11-26-12-14-31-15-13-26/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,27)
InChIKeyPSSIRJPJZREOFQ-UHFFFAOYSA-N
XLogP2.63
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 24817908) is 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is PSSIRJPJZREOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O5S/c1-25(20-6-3-4-7-21(20)30-2)32(28,29)17-8-9-19(23)18(16-17)22(27)24-10-5-11-26-12-14-31-15-13-26/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,27).
What are the key properties of 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 482.00 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 24817908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).