2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine

C16H20N4O2S — CID 6465760

IUPAC2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c(C)c1
InChIInChI=1S/C16H20N4O2S/c1-13-4-5-15(14(2)12-13)23(21,22)20-10-8-19(9-11-20)16-17-6-3-7-18-16/h3-7,12H,8-11H2,1-2H3
InChIKeyCHMQCGZKQJNULS-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.60
Rot. Bonds3

About 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine

2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 6465760) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID6465760
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c(C)c1
InChIInChI=1S/C16H20N4O2S/c1-13-4-5-15(14(2)12-13)23(21,22)20-10-8-19(9-11-20)16-17-6-3-7-18-16/h3-7,12H,8-11H2,1-2H3
InChIKeyCHMQCGZKQJNULS-UHFFFAOYSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
2-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 750803
2-Tosyliminopyrimidine
CID 403569
Arylsulfonylpiperazine, 24
CID 44237027
4-(1-Pyrimidin-5-yl-4,5-dihydroimidazol-2-yl)benzenesulfonamide
CID 145952940
2-[4-(Benzenesulfonyl)piperazin-1-yl]pyrimidine
CID 4669887
2-(4-((4-Fluorophenyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 846131
4-(2-Pyridyl)-1-((2,4,6-trimethylphenyl)sulfonyl)piperazine
CID 672997
2,4,6-trimethyl-N-[2-(3-pyridinyl)-4-pyrimidinyl]benzenesulfonamide
CID 1477573
9-(Benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 3232738
(5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 3234892
2-(4-{[4-(Tert-butyl)phenyl]sulfonyl}piperazino)pyrimidine
CID 3316727

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 6465760) is 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine is Cc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is CHMQCGZKQJNULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-13-4-5-15(14(2)12-13)23(21,22)20-10-8-19(9-11-20)16-17-6-3-7-18-16/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 332.43 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 6465760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).