3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

C16H17FN2O3S — CID 3832104

IUPAC3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C16H17FN2O3S/c17-13-2-1-3-16(12-13)23(20,21)18-14-4-6-15(7-5-14)19-8-10-22-11-9-19/h1-7,12,18H,8-11H2
InChIKeyZFPIVDFBBHVABE-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.46
Rot. Bonds4

About 3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 3832104) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID3832104
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C16H17FN2O3S/c17-13-2-1-3-16(12-13)23(20,21)18-14-4-6-15(7-5-14)19-8-10-22-11-9-19/h1-7,12,18H,8-11H2
InChIKeyZFPIVDFBBHVABE-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 3832104) is 3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is ZFPIVDFBBHVABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-13-2-1-3-16(12-13)23(20,21)18-14-4-6-15(7-5-14)19-8-10-22-11-9-19/h1-7,12,18H,8-11H2.
What are the key properties of 3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 336.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 3832104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).