(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine

C16H19N3O3S — CID 124971463

IUPAC(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
SMILESCOc1ccccc1[C@H]1CNCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C16H19N3O3S/c1-22-16-7-3-2-6-14(16)15-12-18-9-10-19(15)23(20,21)13-5-4-8-17-11-13/h2-8,11,15,18H,9-10,12H2,1H3/t15-/m1/s1
InChIKeyJWOUTWHVGDASLW-OAHLLOKOSA-N
MW333.41 g/mol
LogP1.43
Rot. Bonds4

About (2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine

(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine (PubChem CID 124971463) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
PubChem CID124971463
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
SMILESCOc1ccccc1[C@H]1CNCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C16H19N3O3S/c1-22-16-7-3-2-6-14(16)15-12-18-9-10-19(15)23(20,21)13-5-4-8-17-11-13/h2-8,11,15,18H,9-10,12H2,1H3/t15-/m1/s1
InChIKeyJWOUTWHVGDASLW-OAHLLOKOSA-N
XLogP1.43
TPSA71.53 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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763268
3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
CID 120763492
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120763453
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methoxyphenyl)piperazine
CID 120763175
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide;hydrochloride
CID 120763352
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764094
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine?
The IUPAC name of (2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine (CID 124971463) is (2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine.
What is the SMILES notation for (2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine?
The canonical SMILES for (2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine is COc1ccccc1[C@H]1CNCCN1S(=O)(=O)c1cccnc1.
What is the InChIKey of (2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine?
The InChIKey is JWOUTWHVGDASLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-22-16-7-3-2-6-14(16)15-12-18-9-10-19(15)23(20,21)13-5-4-8-17-11-13/h2-8,11,15,18H,9-10,12H2,1H3/t15-/m1/s1.
What are the key properties of (2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine?
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine has a molecular weight of 333.41 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine is sourced from PubChem (CID 124971463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).