1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide

C17H21N3O3S — CID 167965129

IUPAC1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)C1CCCN(c2ccncc2CO)C1
InChIInChI=1S/C17H21N3O3S/c21-13-14-11-18-9-8-17(14)20-10-4-7-16(12-20)24(22,23)19-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16,19,21H,4,7,10,12-13H2
InChIKeyFPZDQGAILABOBM-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.98
Rot. Bonds5

About 1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide

1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide (PubChem CID 167965129) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide
PubChem CID167965129
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)C1CCCN(c2ccncc2CO)C1
InChIInChI=1S/C17H21N3O3S/c21-13-14-11-18-9-8-17(14)20-10-4-7-16(12-20)24(22,23)19-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16,19,21H,4,7,10,12-13H2
InChIKeyFPZDQGAILABOBM-UHFFFAOYSA-N
XLogP1.98
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81236983
1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide
CID 166350730
[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 136568171
2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114799569
[4-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 114412368
N-phenyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 75476115
[4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]methanol
CID 136568930
[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81237350
3-[[(3S)-3-(phenylsulfamoyl)piperidin-1-yl]methyl]benzoic acid
CID 164638668
(3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide
CID 97348271
[4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 81237712
4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81232474

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide?
The IUPAC name of 1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide (CID 167965129) is 1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide?
The canonical SMILES for 1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide is O=S(=O)(Nc1ccccc1)C1CCCN(c2ccncc2CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide?
The InChIKey is FPZDQGAILABOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-13-14-11-18-9-8-17(14)20-10-4-7-16(12-20)24(22,23)19-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16,19,21H,4,7,10,12-13H2.
What are the key properties of 1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide?
1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide is sourced from PubChem (CID 167965129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).