2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide

C15H21FN2O4S — CID 51108792

IUPAC2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide
SMILESO=C(NCCCNS(=O)(=O)C1CCOCC1)c1ccccc1F
InChIInChI=1S/C15H21FN2O4S/c16-14-5-2-1-4-13(14)15(19)17-8-3-9-18-23(20,21)12-6-10-22-11-7-12/h1-2,4-5,12,18H,3,6-11H2,(H,17,19)
InChIKeyUYXAPSWHAQDGTH-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.04
Rot. Bonds7

About 2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide

2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide (PubChem CID 51108792) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide
PubChem CID51108792
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide
SMILESO=C(NCCCNS(=O)(=O)C1CCOCC1)c1ccccc1F
InChIInChI=1S/C15H21FN2O4S/c16-14-5-2-1-4-13(14)15(19)17-8-3-9-18-23(20,21)12-6-10-22-11-7-12/h1-2,4-5,12,18H,3,6-11H2,(H,17,19)
InChIKeyUYXAPSWHAQDGTH-UHFFFAOYSA-N
XLogP1.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide
CID 47077414
N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide
CID 50975562
N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
CID 110370059
N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119407704
3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide
CID 114175770
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359338
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium
CID 2203617
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345598
2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide
CID 71885532

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide (CID 51108792) is 2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide is O=C(NCCCNS(=O)(=O)C1CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide?
The InChIKey is UYXAPSWHAQDGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c16-14-5-2-1-4-13(14)15(19)17-8-3-9-18-23(20,21)12-6-10-22-11-7-12/h1-2,4-5,12,18H,3,6-11H2,(H,17,19).
What are the key properties of 2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide?
2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide has a molecular weight of 344.41 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide is sourced from PubChem (CID 51108792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).