2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide

C20H24FN3O4S — CID 4096305

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O4S/c21-16-6-8-17(9-7-16)29(26,27)23-19-5-2-1-4-18(19)20(25)22-10-3-11-24-12-14-28-15-13-24/h1-2,4-9,23H,3,10-15H2,(H,22,25)
InChIKeyVZGSUYWNKVKWOY-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.08
Rot. Bonds8

About 2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide

2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 4096305) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID4096305
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O4S/c21-16-6-8-17(9-7-16)29(26,27)23-19-5-2-1-4-18(19)20(25)22-10-3-11-24-12-14-28-15-13-24/h1-2,4-9,23H,3,10-15H2,(H,22,25)
InChIKeyVZGSUYWNKVKWOY-UHFFFAOYSA-N
XLogP2.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 4096305) is 2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is VZGSUYWNKVKWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c21-16-6-8-17(9-7-16)29(26,27)23-19-5-2-1-4-18(19)20(25)22-10-3-11-24-12-14-28-15-13-24/h1-2,4-9,23H,3,10-15H2,(H,22,25).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 421.49 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 4096305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).