5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine

C16H19FN4O4S — CID 137338887

IUPAC5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ncc(F)c(OC)n3)CC2)cc1
InChIInChI=1S/C16H19FN4O4S/c1-24-12-3-5-13(6-4-12)26(22,23)21-9-7-20(8-10-21)16-18-11-14(17)15(19-16)25-2/h3-6,11H,7-10H2,1-2H3
InChIKeySKJRPJSLQHFSAS-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.14
Rot. Bonds5

About 5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine

5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 137338887) has the molecular formula C16H19FN4O4S and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID137338887
Molecular FormulaC16H19FN4O4S
Molecular Weight382.42 g/mol
Exact Mass382.11
IUPAC Name5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ncc(F)c(OC)n3)CC2)cc1
InChIInChI=1S/C16H19FN4O4S/c1-24-12-3-5-13(6-4-12)26(22,23)21-9-7-20(8-10-21)16-18-11-14(17)15(19-16)25-2/h3-6,11H,7-10H2,1-2H3
InChIKeySKJRPJSLQHFSAS-UHFFFAOYSA-N
XLogP1.14
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352225
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 136512660
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756264
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 90517128
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 46081977

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 137338887) is 5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine is COc1ccc(S(=O)(=O)N2CCN(c3ncc(F)c(OC)n3)CC2)cc1.
What is the InChIKey of 5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is SKJRPJSLQHFSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O4S/c1-24-12-3-5-13(6-4-12)26(22,23)21-9-7-20(8-10-21)16-18-11-14(17)15(19-16)25-2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 382.42 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 137338887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).