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

C16H17FN2O3S — CID 784121

IUPAC4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3S/c17-13-1-7-16(8-2-13)23(20,21)18-14-3-5-15(6-4-14)19-9-11-22-12-10-19/h1-8,18H,9-12H2
InChIKeyNIBMUZSDEZLQBT-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.46
Rot. Bonds4

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

4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 784121) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID784121
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3S/c17-13-1-7-16(8-2-13)23(20,21)18-14-3-5-15(6-4-14)19-9-11-22-12-10-19/h1-8,18H,9-12H2
InChIKeyNIBMUZSDEZLQBT-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 784121) is 4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is NIBMUZSDEZLQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-13-1-7-16(8-2-13)23(20,21)18-14-3-5-15(6-4-14)19-9-11-22-12-10-19/h1-8,18H,9-12H2.
What are the key properties of 4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
4-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 4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 784121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).