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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Related Compounds

2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide
CID 167752090
(3S)-3-phenoxy-1-phenylpiperidine
CID 153196970
2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine
CID 167752337
4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine
CID 93480995
2,4-dimethoxy-6-(3-pyridin-3-yloxypiperidin-1-yl)-1,3,5-triazine
CID 166602870
2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide
CID 167892118
4-cyclopentyloxybenzenesulfonamide
CID 43164525
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine
CID 163306506
(7R,9aS)-7-phenoxy-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 71194912
(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 126446397
2-(3-pyridin-3-yloxypiperidin-1-yl)quinoline
CID 166603710

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).