2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide

C16H20N4O3S — CID 167752090

IUPAC2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N2CCCC(C(O)c3ccccc3)C2)nc1
InChIInChI=1S/C16H20N4O3S/c17-24(22,23)14-9-18-16(19-10-14)20-8-4-7-13(11-20)15(21)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15,21H,4,7-8,11H2,(H2,17,22,23)
InChIKeyWKHZUEUMFDRMJI-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.07
Rot. Bonds4

About 2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide

2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide (PubChem CID 167752090) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide
PubChem CID167752090
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N2CCCC(C(O)c3ccccc3)C2)nc1
InChIInChI=1S/C16H20N4O3S/c17-24(22,23)14-9-18-16(19-10-14)20-8-4-7-13(11-20)15(21)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15,21H,4,7-8,11H2,(H2,17,22,23)
InChIKeyWKHZUEUMFDRMJI-UHFFFAOYSA-N
XLogP1.07
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide (CID 167752090) is 2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide is NS(=O)(=O)c1cnc(N2CCCC(C(O)c3ccccc3)C2)nc1.
What is the InChIKey of 2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide?
The InChIKey is WKHZUEUMFDRMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c17-24(22,23)14-9-18-16(19-10-14)20-8-4-7-13(11-20)15(21)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15,21H,4,7-8,11H2,(H2,17,22,23).
What are the key properties of 2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide?
2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 167752090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).