4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine

C18H19ClN6O2S — CID 122337415

IUPAC4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1Cl
InChIInChI=1S/C18H19ClN6O2S/c1-14-3-4-15(11-16(14)19)28(26,27)24-9-7-23(8-10-24)17-12-18(21-13-20-17)25-6-2-5-22-25/h2-6,11-13H,7-10H2,1H3
InChIKeyWTMFYAUGWYZZEC-UHFFFAOYSA-N
MW418.91 g/mol
LogP2.14
Rot. Bonds4

About 4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine

4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine (PubChem CID 122337415) has the molecular formula C18H19ClN6O2S and a molecular weight of 418.91 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
PubChem CID122337415
Molecular FormulaC18H19ClN6O2S
Molecular Weight418.91 g/mol
Exact Mass418.10
IUPAC Name4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1Cl
InChIInChI=1S/C18H19ClN6O2S/c1-14-3-4-15(11-16(14)19)28(26,27)24-9-7-23(8-10-24)17-12-18(21-13-20-17)25-6-2-5-22-25/h2-6,11-13H,7-10H2,1H3
InChIKeyWTMFYAUGWYZZEC-UHFFFAOYSA-N
XLogP2.14
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 121072515
4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-(4,5-dimethylimidazol-1-yl)pyrimidine
CID 122345617
4-pyrazol-1-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121072473
4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337353
4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 56920545
6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 122337394
3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341388
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122341904
4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 122337914
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 121072422
3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
CID 110422436
4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337413

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine (CID 122337415) is 4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine is Cc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1Cl.
What is the InChIKey of 4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The InChIKey is WTMFYAUGWYZZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2S/c1-14-3-4-15(11-16(14)19)28(26,27)24-9-7-23(8-10-24)17-12-18(21-13-20-17)25-6-2-5-22-25/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine has a molecular weight of 418.91 g/mol, XLogP of 2.14, 4 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-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 122337415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).