5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile

C17H18N4O3S — CID 133352225

IUPAC5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1
InChIInChI=1S/C17H18N4O3S/c1-24-16-4-6-17(7-5-16)25(22,23)21-10-8-20(9-11-21)15-3-2-14(12-18)19-13-15/h2-7,13H,8-11H2,1H3
InChIKeyAYWATEWVKWIERL-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.47
Rot. Bonds4

About 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile

5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 133352225) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
PubChem CID133352225
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1
InChIInChI=1S/C17H18N4O3S/c1-24-16-4-6-17(7-5-16)25(22,23)21-10-8-20(9-11-21)15-3-2-14(12-18)19-13-15/h2-7,13H,8-11H2,1H3
InChIKeyAYWATEWVKWIERL-UHFFFAOYSA-N
XLogP1.47
TPSA86.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352615
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133358370
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
1-(4-methoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 146051612
5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 137338887

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile (CID 133352225) is 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile is COc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is AYWATEWVKWIERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-24-16-4-6-17(7-5-16)25(22,23)21-10-8-20(9-11-21)15-3-2-14(12-18)19-13-15/h2-7,13H,8-11H2,1H3.
What are the key properties of 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile?
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 358.42 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133352225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).