3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide

C23H22ClFN2O4S — CID 24552174

IUPAC3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOc1ccccc1F)C(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H22ClFN2O4S/c1-27(13-14-31-21-10-6-5-9-20(21)25)23(28)18-11-12-19(24)22(15-18)32(29,30)26-16-17-7-3-2-4-8-17/h2-12,15,26H,13-14,16H2,1H3
InChIKeyQUQPPFOGAGKTRG-UHFFFAOYSA-N
MW476.96 g/mol
LogP4.11
Rot. Bonds9

About 3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide

3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide (PubChem CID 24552174) has the molecular formula C23H22ClFN2O4S and a molecular weight of 476.96 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
PubChem CID24552174
Molecular FormulaC23H22ClFN2O4S
Molecular Weight476.96 g/mol
Exact Mass476.10
IUPAC Name3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOc1ccccc1F)C(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H22ClFN2O4S/c1-27(13-14-31-21-10-6-5-9-20(21)25)23(28)18-11-12-19(24)22(15-18)32(29,30)26-16-17-7-3-2-4-8-17/h2-12,15,26H,13-14,16H2,1H3
InChIKeyQUQPPFOGAGKTRG-UHFFFAOYSA-N
XLogP4.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide 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

3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 24550044
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
2-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 60692835
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
3-(benzylsulfamoyl)-4-chloro-N-cyclohexyl-N-methylbenzamide
CID 25471701
2-(2-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331852
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097
3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
CID 24540711
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26960465
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599452
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960780

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide (CID 24552174) is 3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide is CN(CCOc1ccccc1F)C(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
The InChIKey is QUQPPFOGAGKTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O4S/c1-27(13-14-31-21-10-6-5-9-20(21)25)23(28)18-11-12-19(24)22(15-18)32(29,30)26-16-17-7-3-2-4-8-17/h2-12,15,26H,13-14,16H2,1H3.
What are the key properties of 3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide has a molecular weight of 476.96 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 24552174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).