1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine

C25H26FNO3S — CID 102053058

IUPAC1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine
SMILESCOC(c1ccccc1)(c1ccccc1)C1(F)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H26FNO3S/c1-30-25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)24(26)17-19-27(20-18-24)31(28,29)23-15-9-4-10-16-23/h2-16H,17-20H2,1H3
InChIKeyMOEJUNDWEPLOEF-UHFFFAOYSA-N
MW439.55 g/mol
LogP4.77
Rot. Bonds6

About 1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine

1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine (PubChem CID 102053058) has the molecular formula C25H26FNO3S and a molecular weight of 439.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine
PubChem CID102053058
Molecular FormulaC25H26FNO3S
Molecular Weight439.55 g/mol
Exact Mass439.16
IUPAC Name1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine
SMILESCOC(c1ccccc1)(c1ccccc1)C1(F)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H26FNO3S/c1-30-25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)24(26)17-19-27(20-18-24)31(28,29)23-15-9-4-10-16-23/h2-16H,17-20H2,1H3
InChIKeyMOEJUNDWEPLOEF-UHFFFAOYSA-N
XLogP4.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Tert-butylphenylsulfonyl)-4-methoxy-4-phenylazepane
CID 25192603
4-Methoxy-1-(4-(2-methoxypropan-2-yl)phenylsulfonyl)-4-methylazepane
CID 25192870
4-[4-[2-[(2,6-Difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine
CID 118219073
1'-(benzenesulfinyl)-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 21512522
1'-(benzenesulfonyl)-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 21512531
[1-(4-Methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 4784925
4-Phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine
CID 12645571
4-((2,5-Difluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895232
4-((2-Fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895234
3-[Bis(4-fluorophenyl)methoxy]-8-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 44357565
4-((Benzyloxy)methyl)-1-((2,6-difluorophenyl)sulfonyl)piperidine
CID 49677832
4-Phenyl-1-(p-tolylsulphonyl)piperidin-4-ol
CID 98752

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine?
The IUPAC name of 1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine (CID 102053058) is 1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine is COC(c1ccccc1)(c1ccccc1)C1(F)CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine?
The InChIKey is MOEJUNDWEPLOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3S/c1-30-25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)24(26)17-19-27(20-18-24)31(28,29)23-15-9-4-10-16-23/h2-16H,17-20H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine?
1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine has a molecular weight of 439.55 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine is sourced from PubChem (CID 102053058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).