4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C15H19N5O3S — CID 58891142

IUPAC4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(N3CCC(O)CC3)n2)cc1
InChIInChI=1S/C15H19N5O3S/c16-24(22,23)13-3-1-11(2-4-13)18-15-17-8-5-14(19-15)20-9-6-12(21)7-10-20/h1-5,8,12,21H,6-7,9-10H2,(H2,16,22,23)(H,17,18,19)
InChIKeyIIWUJJRIWSFUSR-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.83
Rot. Bonds4

About 4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 58891142) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID58891142
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(N3CCC(O)CC3)n2)cc1
InChIInChI=1S/C15H19N5O3S/c16-24(22,23)13-3-1-11(2-4-13)18-15-17-8-5-14(19-15)20-9-6-12(21)7-10-20/h1-5,8,12,21H,6-7,9-10H2,(H2,16,22,23)(H,17,18,19)
InChIKeyIIWUJJRIWSFUSR-UHFFFAOYSA-N
XLogP0.83
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 58891142) is 4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nccc(N3CCC(O)CC3)n2)cc1.
What is the InChIKey of 4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is IIWUJJRIWSFUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c16-24(22,23)13-3-1-11(2-4-13)18-15-17-8-5-14(19-15)20-9-6-12(21)7-10-20/h1-5,8,12,21H,6-7,9-10H2,(H2,16,22,23)(H,17,18,19).
What are the key properties of 4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 349.42 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 58891142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).