1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide

C20H25FN2O3S — CID 16892838

IUPAC1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCCCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H25FN2O3S/c21-19-9-4-6-17(14-19)16-27(24,25)22-10-5-11-23-12-13-26-20(15-23)18-7-2-1-3-8-18/h1-4,6-9,14,20,22H,5,10-13,15-16H2
InChIKeyHBLZCCGQRLEBGZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.71
Rot. Bonds8

About 1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide

1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide (PubChem CID 16892838) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
PubChem CID16892838
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCCCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H25FN2O3S/c21-19-9-4-6-17(14-19)16-27(24,25)22-10-5-11-23-12-13-26-20(15-23)18-7-2-1-3-8-18/h1-4,6-9,14,20,22H,5,10-13,15-16H2
InChIKeyHBLZCCGQRLEBGZ-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]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-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16892924
2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide
CID 16892892
2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866623
1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide
CID 16892749
2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866734
1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16892921
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine
CID 95048529
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide (CID 16892838) is 1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCCCN1CCOC(c2ccccc2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide?
The InChIKey is HBLZCCGQRLEBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c21-19-9-4-6-17(14-19)16-27(24,25)22-10-5-11-23-12-13-26-20(15-23)18-7-2-1-3-8-18/h1-4,6-9,14,20,22H,5,10-13,15-16H2.
What are the key properties of 1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide is sourced from PubChem (CID 16892838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).