4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine

C23H26N4O4S — CID 121035214

IUPAC4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1C
InChIInChI=1S/C23H26N4O4S/c1-17-15-20(9-10-21(17)30-3)32(28,29)27-13-11-26(12-14-27)22-16-23(25-18(2)24-22)31-19-7-5-4-6-8-19/h4-10,15-16H,11-14H2,1-3H3
InChIKeyVHEWWFHCQHJOQT-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.41
Rot. Bonds6

About 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine

4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine (PubChem CID 121035214) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine.

Molecular Properties

Compound Name4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
PubChem CID121035214
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1C
InChIInChI=1S/C23H26N4O4S/c1-17-15-20(9-10-21(17)30-3)32(28,29)27-13-11-26(12-14-27)22-16-23(25-18(2)24-22)31-19-7-5-4-6-8-19/h4-10,15-16H,11-14H2,1-3H3
InChIKeyVHEWWFHCQHJOQT-UHFFFAOYSA-N
XLogP3.41
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035278
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-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035207
4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-phenoxypyrimidine
CID 121035218
2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 42474275
4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473902
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 56699214
4-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035215
4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896378
3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
CID 110645929

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine?
The IUPAC name of 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine (CID 121035214) is 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine.
What is the SMILES notation for 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine?
The canonical SMILES for 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine is COc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1C.
What is the InChIKey of 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine?
The InChIKey is VHEWWFHCQHJOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-17-15-20(9-10-21(17)30-3)32(28,29)27-13-11-26(12-14-27)22-16-23(25-18(2)24-22)31-19-7-5-4-6-8-19/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine?
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine has a molecular weight of 454.55 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine is sourced from PubChem (CID 121035214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).