4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine

C21H20Cl2N4O2S — CID 90517124

IUPAC4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine
SMILESCc1cc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)c(Cl)cc1Cl
InChIInChI=1S/C21H20Cl2N4O2S/c1-15-11-20(18(23)12-17(15)22)30(28,29)27-9-7-26(8-10-27)21-13-19(24-14-25-21)16-5-3-2-4-6-16/h2-6,11-14H,7-10H2,1H3
InChIKeyVHSCJWDMBYITRZ-UHFFFAOYSA-N
MW463.39 g/mol
LogP4.27
Rot. Bonds4

About 4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine

4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine (PubChem CID 90517124) has the molecular formula C21H20Cl2N4O2S and a molecular weight of 463.39 g/mol. Its IUPAC name is 4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine
PubChem CID90517124
Molecular FormulaC21H20Cl2N4O2S
Molecular Weight463.39 g/mol
Exact Mass462.07
IUPAC Name4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine
SMILESCc1cc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)c(Cl)cc1Cl
InChIInChI=1S/C21H20Cl2N4O2S/c1-15-11-20(18(23)12-17(15)22)30(28,29)27-9-7-26(8-10-27)21-13-19(24-14-25-21)16-5-3-2-4-6-16/h2-6,11-14H,7-10H2,1H3
InChIKeyVHSCJWDMBYITRZ-UHFFFAOYSA-N
XLogP4.27
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine
CID 90517059
4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 56764827
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine
CID 53071451
4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517170
4-(4-benzylsulfonylpiperazin-1-yl)-6-phenylpyrimidine
CID 20933367
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921546
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
CID 53006608
4-(4-fluorophenyl)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121107461
4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517144
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 90517128
3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,2,4-triazol-1-yl)pyridazine
CID 121145895

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine?
The IUPAC name of 4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine (CID 90517124) is 4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine.
What is the SMILES notation for 4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine?
The canonical SMILES for 4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine is Cc1cc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)c(Cl)cc1Cl.
What is the InChIKey of 4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine?
The InChIKey is VHSCJWDMBYITRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O2S/c1-15-11-20(18(23)12-17(15)22)30(28,29)27-9-7-26(8-10-27)21-13-19(24-14-25-21)16-5-3-2-4-6-16/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine?
4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine has a molecular weight of 463.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine is sourced from PubChem (CID 90517124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).