2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide

C20H22Cl2FN3O4S — CID 18893217

IUPAC2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2FN3O4S/c21-14-2-4-16(17(22)12-14)20(27)25-19-5-3-15(13-18(19)23)31(28,29)24-6-1-7-26-8-10-30-11-9-26/h2-5,12-13,24H,1,6-11H2,(H,25,27)
InChIKeyKULUZWLGJGVLSP-UHFFFAOYSA-N
MW490.38 g/mol
LogP3.39
Rot. Bonds8

About 2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide

2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide (PubChem CID 18893217) has the molecular formula C20H22Cl2FN3O4S and a molecular weight of 490.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide
PubChem CID18893217
Molecular FormulaC20H22Cl2FN3O4S
Molecular Weight490.38 g/mol
Exact Mass489.07
IUPAC Name2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2FN3O4S/c21-14-2-4-16(17(22)12-14)20(27)25-19-5-3-15(13-18(19)23)31(28,29)24-6-1-7-26-8-10-30-11-9-26/h2-5,12-13,24H,1,6-11H2,(H,25,27)
InChIKeyKULUZWLGJGVLSP-UHFFFAOYSA-N
XLogP3.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]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

2,4-dichloro-N-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenyl]benzamide
CID 18893075
2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 991469
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
2,4-dichloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18893079
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide
CID 18893127
2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893102
2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide
CID 18893027
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399
2,4-dichloro-N-[5-(3-pyrrolidin-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100748234
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2,4-dichlorobenzamide
CID 18893156

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide (CID 18893217) is 2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide?
The InChIKey is KULUZWLGJGVLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2FN3O4S/c21-14-2-4-16(17(22)12-14)20(27)25-19-5-3-15(13-18(19)23)31(28,29)24-6-1-7-26-8-10-30-11-9-26/h2-5,12-13,24H,1,6-11H2,(H,25,27).
What are the key properties of 2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide?
2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide has a molecular weight of 490.38 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 18893217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).