1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine

C17H21N3O3S — CID 53185153

IUPAC1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C17H21N3O3S/c1-23-17-8-7-15(13-18-17)14-19-9-11-20(12-10-19)24(21,22)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyVXGOAJISTZGDCL-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.60
Rot. Bonds5

About 1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine

1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine (PubChem CID 53185153) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
PubChem CID53185153
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C17H21N3O3S/c1-23-17-8-7-15(13-18-17)14-19-9-11-20(12-10-19)24(21,22)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyVXGOAJISTZGDCL-UHFFFAOYSA-N
XLogP1.60
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
1-(benzenesulfonyl)-4-[(4-tert-butylphenyl)methyl]piperazine
CID 17349681
1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine
CID 138460517
1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 51079484
1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17365974
1-(benzenesulfonyl)-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 90483917
1-benzyl-4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine
CID 26945817
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine (CID 53185153) is 1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine is COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cn1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine?
The InChIKey is VXGOAJISTZGDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-23-17-8-7-15(13-18-17)14-19-9-11-20(12-10-19)24(21,22)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine?
1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine has a molecular weight of 347.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 53185153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).