N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide

C18H21FN2O3S — CID 175063377

IUPACN-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NF)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C18H21FN2O3S/c19-20-25(23,24)21-13-11-17(12-14-21)18(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
InChIKeyPPXJSCIZXGLXSH-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.35
Rot. Bonds5

About N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide

N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide (PubChem CID 175063377) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide
PubChem CID175063377
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NF)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C18H21FN2O3S/c19-20-25(23,24)21-13-11-17(12-14-21)18(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
InChIKeyPPXJSCIZXGLXSH-UHFFFAOYSA-N
XLogP2.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride
CID 130224151
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 4784925
[1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol
CID 14407073
1-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 14698741
[1-(4-butoxyphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 3805662
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 3854256
[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685
[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138424
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138425
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide
CID 4660551
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95894763

Frequently Asked Questions

What is the IUPAC name of N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide (CID 175063377) is N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide is O=S(=O)(NF)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide?
The InChIKey is PPXJSCIZXGLXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c19-20-25(23,24)21-13-11-17(12-14-21)18(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2.
What are the key properties of N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide?
N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide has a molecular weight of 364.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 175063377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).