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

C16H17FN2O3S — CID 7938967

IUPAC2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccccc1F
InChIInChI=1S/C16H17FN2O3S/c17-15-3-1-2-4-16(15)23(20,21)18-13-5-7-14(8-6-13)19-9-11-22-12-10-19/h1-8,18H,9-12H2
InChIKeyHAYFZENJOQJVAA-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.46
Rot. Bonds4

About 2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 7938967) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID7938967
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccccc1F
InChIInChI=1S/C16H17FN2O3S/c17-15-3-1-2-4-16(15)23(20,21)18-13-5-7-14(8-6-13)19-9-11-22-12-10-19/h1-8,18H,9-12H2
InChIKeyHAYFZENJOQJVAA-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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Related Compounds

N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide
CID 1118418
2-[(2-fluorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2594456
8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide
CID 25037325
2-fluoro-N-morpholin-4-ylbenzenesulfonamide
CID 3535200
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 110362709
3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3856880
4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 4785273
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 112981153
4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
4-morpholin-4-yl-N-phenylaniline
CID 159018746
2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106911076

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 7938967) is 2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is HAYFZENJOQJVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-15-3-1-2-4-16(15)23(20,21)18-13-5-7-14(8-6-13)19-9-11-22-12-10-19/h1-8,18H,9-12H2.
What are the key properties of 2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
2-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 2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 7938967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).