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

C21H26FN3O4S — CID 3235875

IUPAC4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FN3O4S/c22-19-6-8-20(9-7-19)30(27,28)24-16-17-2-4-18(5-3-17)21(26)23-10-1-11-25-12-14-29-15-13-25/h2-9,24H,1,10-16H2,(H,23,26)
InChIKeyGPCMOMQDJZUNRI-UHFFFAOYSA-N
MW435.52 g/mol
LogP1.76
Rot. Bonds9

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

4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 3235875) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID3235875
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FN3O4S/c22-19-6-8-20(9-7-19)30(27,28)24-16-17-2-4-18(5-3-17)21(26)23-10-1-11-25-12-14-29-15-13-25/h2-9,24H,1,10-16H2,(H,23,26)
InChIKeyGPCMOMQDJZUNRI-UHFFFAOYSA-N
XLogP1.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 51.76
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 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 3235875) is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is GPCMOMQDJZUNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c22-19-6-8-20(9-7-19)30(27,28)24-16-17-2-4-18(5-3-17)21(26)23-10-1-11-25-12-14-29-15-13-25/h2-9,24H,1,10-16H2,(H,23,26).
What are the key properties of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 435.52 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 3235875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).