2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide

C16H24ClN3O4S — CID 8884146

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C16H24ClN3O4S/c1-19(2)25(22,23)13-4-5-15(17)14(12-13)16(21)18-6-3-7-20-8-10-24-11-9-20/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)
InChIKeyUPEMBVGEYKJHQM-UHFFFAOYSA-N
MW389.91 g/mol
LogP1.04
Rot. Bonds7

About 2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide

2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 8884146) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID8884146
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C16H24ClN3O4S/c1-19(2)25(22,23)13-4-5-15(17)14(12-13)16(21)18-6-3-7-20-8-10-24-11-9-20/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)
InChIKeyUPEMBVGEYKJHQM-UHFFFAOYSA-N
XLogP1.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide
CID 110617791
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 50945225
2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 55527296
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 50802022
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 8884146) is 2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is UPEMBVGEYKJHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O4S/c1-19(2)25(22,23)13-4-5-15(17)14(12-13)16(21)18-6-3-7-20-8-10-24-11-9-20/h4-5,12H,3,6-11H2,1-2H3,(H,18,21).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 389.91 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 8884146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).