3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile

C16H17N5O2S — CID 2822709

IUPAC3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)CC2)cc1
InChIInChI=1S/C16H17N5O2S/c1-13-2-4-14(5-3-13)24(22,23)21-10-8-20(9-11-21)16-15(12-17)18-6-7-19-16/h2-7H,8-11H2,1H3
InChIKeyUGBZLVXGJFJCHA-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.17
Rot. Bonds3

About 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 2822709) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID2822709
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)CC2)cc1
InChIInChI=1S/C16H17N5O2S/c1-13-2-4-14(5-3-13)24(22,23)21-10-8-20(9-11-21)16-15(12-17)18-6-7-19-16/h2-7H,8-11H2,1H3
InChIKeyUGBZLVXGJFJCHA-UHFFFAOYSA-N
XLogP1.17
TPSA90.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 45422859
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile
CID 26440336
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,2,5-thiadiazol-3-one
CID 122211896
4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26437253
1-(4-methylphenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 22772839
3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133477970
3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539689
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine
CID 163446821
4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 56584266
1-[(6-chloro-3-pyridinyl)sulfonyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 7509881
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile (CID 2822709) is 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile is Cc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)CC2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is UGBZLVXGJFJCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-13-2-4-14(5-3-13)24(22,23)21-10-8-20(9-11-21)16-15(12-17)18-6-7-19-16/h2-7H,8-11H2,1H3.
What are the key properties of 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 343.41 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 2822709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).