4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C21H24FN3O4S — CID 3242429

IUPAC4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H24FN3O4S/c22-18-8-10-19(11-9-18)30(28,29)24-15-16-4-6-17(7-5-16)21(27)23-12-2-14-25-13-1-3-20(25)26/h4-11,24H,1-3,12-15H2,(H,23,27)
InChIKeyFKMNCNPVAQBWBU-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.05
Rot. Bonds9

About 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 3242429) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID3242429
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H24FN3O4S/c22-18-8-10-19(11-9-18)30(28,29)24-15-16-4-6-17(7-5-16)21(27)23-12-2-14-25-13-1-3-20(25)26/h4-11,24H,1-3,12-15H2,(H,23,27)
InChIKeyFKMNCNPVAQBWBU-UHFFFAOYSA-N
XLogP2.05
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 3242429) is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is O=C(NCCCN1CCCC1=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is FKMNCNPVAQBWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4S/c22-18-8-10-19(11-9-18)30(28,29)24-15-16-4-6-17(7-5-16)21(27)23-12-2-14-25-13-1-3-20(25)26/h4-11,24H,1-3,12-15H2,(H,23,27).
What are the key properties of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 433.51 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 3242429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).