4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine

C23H26N4O3S — CID 121035207

IUPAC4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1
InChIInChI=1S/C23H26N4O3S/c1-3-19-9-11-21(12-10-19)31(28,29)27-15-13-26(14-16-27)22-17-23(25-18(2)24-22)30-20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3
InChIKeyZBXIQYWHQVWBIL-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.65
Rot. Bonds6

About 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine

4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine (PubChem CID 121035207) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine.

Molecular Properties

Compound Name4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
PubChem CID121035207
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1
InChIInChI=1S/C23H26N4O3S/c1-3-19-9-11-21(12-10-19)31(28,29)27-15-13-26(14-16-27)22-17-23(25-18(2)24-22)30-20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3
InChIKeyZBXIQYWHQVWBIL-UHFFFAOYSA-N
XLogP3.65
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-ethylsulfonylpiperazin-1-yl)-2-methyl-6-phenoxypyrimidine
CID 121035218
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035214
4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035278
2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 42474275
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
4-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035215
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine
CID 42474017
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474139
4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 121035192
2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 44826825

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine?
The IUPAC name of 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine (CID 121035207) is 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine.
What is the SMILES notation for 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine?
The canonical SMILES for 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine is CCc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1.
What is the InChIKey of 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine?
The InChIKey is ZBXIQYWHQVWBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-3-19-9-11-21(12-10-19)31(28,29)27-15-13-26(14-16-27)22-17-23(25-18(2)24-22)30-20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3.
What are the key properties of 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine?
4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine has a molecular weight of 438.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine is sourced from PubChem (CID 121035207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).