4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine

C22H23ClN4O4S — CID 121035278

IUPAC4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1Cl
InChIInChI=1S/C22H23ClN4O4S/c1-16-24-21(15-22(25-16)31-17-6-4-3-5-7-17)26-10-12-27(13-11-26)32(28,29)18-8-9-20(30-2)19(23)14-18/h3-9,14-15H,10-13H2,1-2H3
InChIKeyYZHARCDDFZCTGG-UHFFFAOYSA-N
MW474.97 g/mol
LogP3.75
Rot. Bonds6

About 4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine

4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine (PubChem CID 121035278) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine.

Molecular Properties

Compound Name4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
PubChem CID121035278
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC Name4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1Cl
InChIInChI=1S/C22H23ClN4O4S/c1-16-24-21(15-22(25-16)31-17-6-4-3-5-7-17)26-10-12-27(13-11-26)32(28,29)18-8-9-20(30-2)19(23)14-18/h3-9,14-15H,10-13H2,1-2H3
InChIKeyYZHARCDDFZCTGG-UHFFFAOYSA-N
XLogP3.75
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-pyrrolidin-1-ylpyrimidine
CID 56699214
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]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50946798
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine?
The IUPAC name of 4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine (CID 121035278) is 4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine.
What is the SMILES notation for 4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine?
The canonical SMILES for 4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine is COc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1Cl.
What is the InChIKey of 4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine?
The InChIKey is YZHARCDDFZCTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c1-16-24-21(15-22(25-16)31-17-6-4-3-5-7-17)26-10-12-27(13-11-26)32(28,29)18-8-9-20(30-2)19(23)14-18/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine?
4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine has a molecular weight of 474.97 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine is sourced from PubChem (CID 121035278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).