4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide

C16H20N4O2S — CID 73346473

IUPAC4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H20N4O2S/c17-23(21,22)16-12-18-7-6-15(16)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,17,21,22)
InChIKeyOJRDPGPSJAPOJB-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.05
Rot. Bonds4

About 4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide

4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide (PubChem CID 73346473) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide
PubChem CID73346473
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H20N4O2S/c17-23(21,22)16-12-18-7-6-15(16)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,17,21,22)
InChIKeyOJRDPGPSJAPOJB-UHFFFAOYSA-N
XLogP1.05
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Torasemide
CID 41781
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
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CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
BM-960102
CID 819349
N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)cyclohexyl)pyridine-3-sulfonamide
CID 44435100
1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
3-(1-Tosylpyrrolidin-2-yl)pyridine
CID 2738278
N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 2738468
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide (CID 73346473) is 4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide?
The InChIKey is OJRDPGPSJAPOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c17-23(21,22)16-12-18-7-6-15(16)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,17,21,22).
What are the key properties of 4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide?
4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 73346473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).