2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide

C24H24FN3O5S — CID 5084767

IUPAC2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCOCC1
InChIInChI=1S/C24H24FN3O5S/c1-32-22-9-5-4-8-20(22)27-34(30,31)23-16-17(10-11-21(23)28-12-14-33-15-13-28)26-24(29)18-6-2-3-7-19(18)25/h2-11,16,27H,12-15H2,1H3,(H,26,29)
InChIKeyNTHFJEGQNQSAOL-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.72
Rot. Bonds7

About 2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide

2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide (PubChem CID 5084767) has the molecular formula C24H24FN3O5S and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
PubChem CID5084767
Molecular FormulaC24H24FN3O5S
Molecular Weight485.54 g/mol
Exact Mass485.14
IUPAC Name2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCOCC1
InChIInChI=1S/C24H24FN3O5S/c1-32-22-9-5-4-8-20(22)27-34(30,31)23-16-17(10-11-21(23)28-12-14-33-15-13-28)26-24(29)18-6-2-3-7-19(18)25/h2-11,16,27H,12-15H2,1H3,(H,26,29)
InChIKeyNTHFJEGQNQSAOL-UHFFFAOYSA-N
XLogP3.72
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide (CID 5084767) is 2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCOCC1.
What is the InChIKey of 2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The InChIKey is NTHFJEGQNQSAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5S/c1-32-22-9-5-4-8-20(22)27-34(30,31)23-16-17(10-11-21(23)28-12-14-33-15-13-28)26-24(29)18-6-2-3-7-19(18)25/h2-11,16,27H,12-15H2,1H3,(H,26,29).
What are the key properties of 2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide has a molecular weight of 485.54 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide is sourced from PubChem (CID 5084767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).