3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide

C20H23FN4O5S — CID 55333895

IUPAC3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN4O5S/c1-24(2)31(28,29)16-7-8-18(25-9-11-30-12-10-25)17(13-16)20(27)23-22-19(26)14-3-5-15(21)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyCTJBKARMJFLXBF-UHFFFAOYSA-N
MW450.49 g/mol
LogP0.99
Rot. Bonds5

About 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide

3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide (PubChem CID 55333895) has the molecular formula C20H23FN4O5S and a molecular weight of 450.49 g/mol. Its IUPAC name is 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
PubChem CID55333895
Molecular FormulaC20H23FN4O5S
Molecular Weight450.49 g/mol
Exact Mass450.14
IUPAC Name3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN4O5S/c1-24(2)31(28,29)16-7-8-18(25-9-11-30-12-10-25)17(13-16)20(27)23-22-19(26)14-3-5-15(21)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyCTJBKARMJFLXBF-UHFFFAOYSA-N
XLogP0.99
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide 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

N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 46588089
N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400713
5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
CID 26469062
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55669437
N-(2,3-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8714248
N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55582883
ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
CID 56557592
5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55669624

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide (CID 55333895) is 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide?
The InChIKey is CTJBKARMJFLXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O5S/c1-24(2)31(28,29)16-7-8-18(25-9-11-30-12-10-25)17(13-16)20(27)23-22-19(26)14-3-5-15(21)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide?
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide has a molecular weight of 450.49 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 55333895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).