4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

C19H23FN2O3S — CID 16892772

IUPAC4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c20-17-7-9-18(10-8-17)26(23,24)21-11-4-12-22-13-14-25-19(15-22)16-5-2-1-3-6-16/h1-3,5-10,19,21H,4,11-15H2
InChIKeyQSGXANUUKIPWHK-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.57
Rot. Bonds7

About 4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (PubChem CID 16892772) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
PubChem CID16892772
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c20-17-7-9-18(10-8-17)26(23,24)21-11-4-12-22-13-14-25-19(15-22)16-5-2-1-3-6-16/h1-3,5-10,19,21H,4,11-15H2
InChIKeyQSGXANUUKIPWHK-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (CID 16892772) is 4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is O=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The InChIKey is QSGXANUUKIPWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c20-17-7-9-18(10-8-17)26(23,24)21-11-4-12-22-13-14-25-19(15-22)16-5-2-1-3-6-16/h1-3,5-10,19,21H,4,11-15H2.
What are the key properties of 4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 16892772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).