2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

C19H22F2N2O3S — CID 16892767

IUPAC2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1cc(F)ccc1F
InChIInChI=1S/C19H22F2N2O3S/c20-16-7-8-17(21)19(13-16)27(24,25)22-9-4-10-23-11-12-26-18(14-23)15-5-2-1-3-6-15/h1-3,5-8,13,18,22H,4,9-12,14H2
InChIKeyPESAQBOGDIKFTO-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.71
Rot. Bonds7

About 2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (PubChem CID 16892767) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
PubChem CID16892767
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1cc(F)ccc1F
InChIInChI=1S/C19H22F2N2O3S/c20-16-7-8-17(21)19(13-16)27(24,25)22-9-4-10-23-11-12-26-18(14-23)15-5-2-1-3-6-15/h1-3,5-8,13,18,22H,4,9-12,14H2
InChIKeyPESAQBOGDIKFTO-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.71
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 2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (CID 16892767) is 2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is O=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The InChIKey is PESAQBOGDIKFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c20-16-7-8-17(21)19(13-16)27(24,25)22-9-4-10-23-11-12-26-18(14-23)15-5-2-1-3-6-15/h1-3,5-8,13,18,22H,4,9-12,14H2.
What are the key properties of 2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide has a molecular weight of 396.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 16892767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).