2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide

C16H25ClN2O4S — CID 55716614

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCCOC)c1
InChIInChI=1S/C16H25ClN2O4S/c1-4-19(5-2)24(21,22)13-8-9-15(17)14(12-13)16(20)18-10-6-7-11-23-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyGHLIEFWMZKOPAX-UHFFFAOYSA-N
MW376.91 g/mol
LogP2.53
Rot. Bonds10

About 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide (PubChem CID 55716614) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
PubChem CID55716614
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCCOC)c1
InChIInChI=1S/C16H25ClN2O4S/c1-4-19(5-2)24(21,22)13-8-9-15(17)14(12-13)16(20)18-10-6-7-11-23-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyGHLIEFWMZKOPAX-UHFFFAOYSA-N
XLogP2.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]hexanoate
CID 31839407
2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 27828585
2-chloro-5-(diethylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575730
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394125
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
CID 60566384
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795
2-chloro-N-(4-methoxybutyl)-5-nitrobenzamide
CID 60789022
N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387544
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide (CID 55716614) is 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCCOC)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide?
The InChIKey is GHLIEFWMZKOPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O4S/c1-4-19(5-2)24(21,22)13-8-9-15(17)14(12-13)16(20)18-10-6-7-11-23-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide has a molecular weight of 376.91 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide is sourced from PubChem (CID 55716614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).