4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide

C23H22FN3O4S — CID 4785273

IUPAC4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H22FN3O4S/c24-21-3-1-2-4-22(21)26-32(29,30)20-11-5-17(6-12-20)23(28)25-18-7-9-19(10-8-18)27-13-15-31-16-14-27/h1-12,26H,13-16H2,(H,25,28)
InChIKeyRICKGLAXONGCPC-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.72
Rot. Bonds6

About 4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide

4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 4785273) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID4785273
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC Name4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H22FN3O4S/c24-21-3-1-2-4-22(21)26-32(29,30)20-11-5-17(6-12-20)23(28)25-18-7-9-19(10-8-18)27-13-15-31-16-14-27/h1-12,26H,13-16H2,(H,25,28)
InChIKeyRICKGLAXONGCPC-UHFFFAOYSA-N
XLogP3.72
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168514445
N-(4-cyanophenyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 26699329
4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 4787079
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385825
N-(4-morpholin-4-ylphenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41094823
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide
CID 37317926
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 36525049

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide (CID 4785273) is 4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is RICKGLAXONGCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4S/c24-21-3-1-2-4-22(21)26-32(29,30)20-11-5-17(6-12-20)23(28)25-18-7-9-19(10-8-18)27-13-15-31-16-14-27/h1-12,26H,13-16H2,(H,25,28).
What are the key properties of 4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide?
4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 455.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 4785273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).