2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol

C16H19N3O3S — CID 46837190

IUPAC2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2ncccc2O)CC1
InChIInChI=1S/C16H19N3O3S/c20-16-7-4-8-17-15(16)13-18-9-11-19(12-10-18)23(21,22)14-5-2-1-3-6-14/h1-8,20H,9-13H2
InChIKeyINDJRWZDXAKQLZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.29
Rot. Bonds4

About 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol

2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol (PubChem CID 46837190) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol
PubChem CID46837190
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2ncccc2O)CC1
InChIInChI=1S/C16H19N3O3S/c20-16-7-4-8-17-15(16)13-18-9-11-19(12-10-18)23(21,22)14-5-2-1-3-6-14/h1-8,20H,9-13H2
InChIKeyINDJRWZDXAKQLZ-UHFFFAOYSA-N
XLogP1.29
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol (CID 46837190) is 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol is O=S(=O)(c1ccccc1)N1CCN(Cc2ncccc2O)CC1.
What is the InChIKey of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol?
The InChIKey is INDJRWZDXAKQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-16-7-4-8-17-15(16)13-18-9-11-19(12-10-18)23(21,22)14-5-2-1-3-6-14/h1-8,20H,9-13H2.
What are the key properties of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol?
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol has a molecular weight of 333.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 46837190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).