4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine

C16H20N4O4S — CID 42154688

IUPAC4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine
SMILESCOc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc(OC)n1
InChIInChI=1S/C16H20N4O4S/c1-23-15-12-14(17-16(18-15)24-2)19-8-10-20(11-9-19)25(21,22)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyGLJNOQKFGJLMGV-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.00
Rot. Bonds5

About 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine

4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine (PubChem CID 42154688) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine
PubChem CID42154688
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine
SMILESCOc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc(OC)n1
InChIInChI=1S/C16H20N4O4S/c1-23-15-12-14(17-16(18-15)24-2)19-8-10-20(11-9-19)25(21,22)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyGLJNOQKFGJLMGV-UHFFFAOYSA-N
XLogP1.00
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine
CID 121065332
4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine
CID 42154871
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine
CID 42154829
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 121035192
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
3-[4-[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-6-phenyl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide
CID 24961953
4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035219
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 42474236
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035214
1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
CID 113077853
4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035278

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine?
The IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine (CID 42154688) is 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine is COc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc(OC)n1.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine?
The InChIKey is GLJNOQKFGJLMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-23-15-12-14(17-16(18-15)24-2)19-8-10-20(11-9-19)25(21,22)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine?
4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine has a molecular weight of 364.43 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine is sourced from PubChem (CID 42154688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).