1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide

C21H27FN2O3S — CID 16892924

IUPAC1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCCCCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C21H27FN2O3S/c22-20-11-5-4-10-19(20)17-28(25,26)23-12-6-7-13-24-14-15-27-21(16-24)18-8-2-1-3-9-18/h1-5,8-11,21,23H,6-7,12-17H2
InChIKeyQPPHKOKYQLPIIB-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.10
Rot. Bonds9

About 1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide

1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide (PubChem CID 16892924) has the molecular formula C21H27FN2O3S and a molecular weight of 406.52 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
PubChem CID16892924
Molecular FormulaC21H27FN2O3S
Molecular Weight406.52 g/mol
Exact Mass406.17
IUPAC Name1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCCCCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C21H27FN2O3S/c22-20-11-5-4-10-19(20)17-28(25,26)23-12-6-7-13-24-14-15-27-21(16-24)18-8-2-1-3-9-18/h1-5,8-11,21,23H,6-7,12-17H2
InChIKeyQPPHKOKYQLPIIB-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide 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

1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16892921
1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide
CID 16892892
1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892838
2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866734
2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866623
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
2-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892682
2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16892861
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
5-chloro-2-methyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866754

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide (CID 16892924) is 1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide is O=S(=O)(Cc1ccccc1F)NCCCCN1CCOC(c2ccccc2)C1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide?
The InChIKey is QPPHKOKYQLPIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3S/c22-20-11-5-4-10-19(20)17-28(25,26)23-12-6-7-13-24-14-15-27-21(16-24)18-8-2-1-3-9-18/h1-5,8-11,21,23H,6-7,12-17H2.
What are the key properties of 1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide has a molecular weight of 406.52 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide is sourced from PubChem (CID 16892924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).