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

C18H21FN2O3S — CID 16892685

IUPAC4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c19-16-6-8-17(9-7-16)25(22,23)20-10-11-21-12-13-24-18(14-21)15-4-2-1-3-5-15/h1-9,18,20H,10-14H2
InChIKeyMDXGNDDPSBALSV-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.18
Rot. Bonds6

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

4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 16892685) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID16892685
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c19-16-6-8-17(9-7-16)25(22,23)20-10-11-21-12-13-24-18(14-21)15-4-2-1-3-5-15/h1-9,18,20H,10-14H2
InChIKeyMDXGNDDPSBALSV-UHFFFAOYSA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 16892685) is 4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is MDXGNDDPSBALSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c19-16-6-8-17(9-7-16)25(22,23)20-10-11-21-12-13-24-18(14-21)15-4-2-1-3-5-15/h1-9,18,20H,10-14H2.
What are the key properties of 4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 364.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16892685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).