1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride

C16H20ClN3O2S — CID 120763847

IUPAC1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H19N3O2S.ClH/c20-22(21,13-14-5-2-1-3-6-14)19-10-9-18-12-16(19)15-7-4-8-17-11-15;/h1-8,11,16,18H,9-10,12-13H2;1H
InChIKeyUWKFFMKOEQRLRQ-UHFFFAOYSA-N
MW353.88 g/mol
LogP1.98
Rot. Bonds4

About 1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride

1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120763847) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120763847
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H19N3O2S.ClH/c20-22(21,13-14-5-2-1-3-6-14)19-10-9-18-12-16(19)15-7-4-8-17-11-15;/h1-8,11,16,18H,9-10,12-13H2;1H
InChIKeyUWKFFMKOEQRLRQ-UHFFFAOYSA-N
XLogP1.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763556
1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine
CID 120763880
3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550
1-butylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763713
1-(pyridin-3-ylmethylsulfonyl)piperazine-2-carboxylic acid;hydrochloride
CID 71646376
1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763498
N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
CID 120764052
1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763826
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride (CID 120763847) is 1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride is Cl.O=S(=O)(Cc1ccccc1)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is UWKFFMKOEQRLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c20-22(21,13-14-5-2-1-3-6-14)19-10-9-18-12-16(19)15-7-4-8-17-11-15;/h1-8,11,16,18H,9-10,12-13H2;1H.
What are the key properties of 1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride?
1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120763847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).