[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol

C17H21N3O3S — CID 89185895

IUPAC[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol
SMILESNc1ccc(S(=O)(=O)N2CCC(C(O)c3cccnc3)CC2)cc1
InChIInChI=1S/C17H21N3O3S/c18-15-3-5-16(6-4-15)24(22,23)20-10-7-13(8-11-20)17(21)14-2-1-9-19-12-14/h1-6,9,12-13,17,21H,7-8,10-11,18H2
InChIKeyARTPYNSQRXSFAE-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.80
Rot. Bonds4

About [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol

[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol (PubChem CID 89185895) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol
PubChem CID89185895
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol
SMILESNc1ccc(S(=O)(=O)N2CCC(C(O)c3cccnc3)CC2)cc1
InChIInChI=1S/C17H21N3O3S/c18-15-3-5-16(6-4-15)24(22,23)20-10-7-13(8-11-20)17(21)14-2-1-9-19-12-14/h1-6,9,12-13,17,21H,7-8,10-11,18H2
InChIKeyARTPYNSQRXSFAE-UHFFFAOYSA-N
XLogP1.80
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 104600089
[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-pyridin-3-ylmethanol
CID 146044176
1-(4-propan-2-ylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26591934
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
1-[1-[(6-amino-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106835157
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 175864648
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
4-[4-(pyridin-3-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 166213016
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79175051

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol (CID 89185895) is [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol is Nc1ccc(S(=O)(=O)N2CCC(C(O)c3cccnc3)CC2)cc1.
What is the InChIKey of [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol?
The InChIKey is ARTPYNSQRXSFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c18-15-3-5-16(6-4-15)24(22,23)20-10-7-13(8-11-20)17(21)14-2-1-9-19-12-14/h1-6,9,12-13,17,21H,7-8,10-11,18H2.
What are the key properties of [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol?
[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol has a molecular weight of 347.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 89185895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).