2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide

C20H25ClN2O3S2 — CID 27828585

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCSc2ccccc2)c1
InChIInChI=1S/C20H25ClN2O3S2/c1-3-23(4-2)28(25,26)17-11-12-19(21)18(15-17)20(24)22-13-8-14-27-16-9-6-5-7-10-16/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,22,24)
InChIKeyCMOCGHUSBDLYDG-UHFFFAOYSA-N
MW441.02 g/mol
LogP4.28
Rot. Bonds10

About 2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide (PubChem CID 27828585) has the molecular formula C20H25ClN2O3S2 and a molecular weight of 441.02 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide
PubChem CID27828585
Molecular FormulaC20H25ClN2O3S2
Molecular Weight441.02 g/mol
Exact Mass440.10
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCSc2ccccc2)c1
InChIInChI=1S/C20H25ClN2O3S2/c1-3-23(4-2)28(25,26)17-11-12-19(21)18(15-17)20(24)22-13-8-14-27-16-9-6-5-7-10-16/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,22,24)
InChIKeyCMOCGHUSBDLYDG-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.02
LogP ≤ 54.28
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-(3-phenylsulfanylpropyl)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

5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide
CID 38766346
2-chloro-5-methylsulfonyl-N-(3-phenylsulfanylpropyl)benzamide
CID 32577044
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
5-(diethylsulfamoyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methylbenzamide
CID 26635620
4-(diethylsulfamoyl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrrole-2-carboxamide
CID 38570369
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
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-[3-(3-methylphenoxy)propyl]benzamide
CID 42575730
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
methyl 6-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]hexanoate
CID 31839407

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide (CID 27828585) is 2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCSc2ccccc2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide?
The InChIKey is CMOCGHUSBDLYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S2/c1-3-23(4-2)28(25,26)17-11-12-19(21)18(15-17)20(24)22-13-8-14-27-16-9-6-5-7-10-16/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide has a molecular weight of 441.02 g/mol, XLogP of 4.28, 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-(3-phenylsulfanylpropyl)benzamide is sourced from PubChem (CID 27828585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).