2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide

C15H18N4O3S — CID 167876169

IUPAC2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N2CCCC(Oc3ccccc3)C2)nc1
InChIInChI=1S/C15H18N4O3S/c16-23(20,21)14-9-17-15(18-10-14)19-8-4-7-13(11-19)22-12-5-2-1-3-6-12/h1-3,5-6,9-10,13H,4,7-8,11H2,(H2,16,20,21)
InChIKeyFQZKHJMLPIWFNI-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.17
Rot. Bonds4

About 2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide

2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide (PubChem CID 167876169) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide
PubChem CID167876169
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N2CCCC(Oc3ccccc3)C2)nc1
InChIInChI=1S/C15H18N4O3S/c16-23(20,21)14-9-17-15(18-10-14)19-8-4-7-13(11-19)22-12-5-2-1-3-6-12/h1-3,5-6,9-10,13H,4,7-8,11H2,(H2,16,20,21)
InChIKeyFQZKHJMLPIWFNI-UHFFFAOYSA-N
XLogP1.17
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide (CID 167876169) is 2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide is NS(=O)(=O)c1cnc(N2CCCC(Oc3ccccc3)C2)nc1.
What is the InChIKey of 2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide?
The InChIKey is FQZKHJMLPIWFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c16-23(20,21)14-9-17-15(18-10-14)19-8-4-7-13(11-19)22-12-5-2-1-3-6-12/h1-3,5-6,9-10,13H,4,7-8,11H2,(H2,16,20,21).
What are the key properties of 2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide?
2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 167876169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).