4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine

C21H20Cl2N4O3S — CID 90517170

IUPAC4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)ncn2)cc1
InChIInChI=1S/C21H20Cl2N4O3S/c1-30-16-7-5-15(6-8-16)18-13-20(25-14-24-18)26-9-11-27(12-10-26)31(28,29)19-4-2-3-17(22)21(19)23/h2-8,13-14H,9-12H2,1H3
InChIKeyZKQLQDQYEGNLFC-UHFFFAOYSA-N
MW479.39 g/mol
LogP3.97
Rot. Bonds5

About 4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine

4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine (PubChem CID 90517170) has the molecular formula C21H20Cl2N4O3S and a molecular weight of 479.39 g/mol. Its IUPAC name is 4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
PubChem CID90517170
Molecular FormulaC21H20Cl2N4O3S
Molecular Weight479.39 g/mol
Exact Mass478.06
IUPAC Name4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)ncn2)cc1
InChIInChI=1S/C21H20Cl2N4O3S/c1-30-16-7-5-15(6-8-16)18-13-20(25-14-24-18)26-9-11-27(12-10-26)31(28,29)19-4-2-3-17(22)21(19)23/h2-8,13-14H,9-12H2,1H3
InChIKeyZKQLQDQYEGNLFC-UHFFFAOYSA-N
XLogP3.97
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 53071556
4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine
CID 90517124
4-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517145
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-ethoxyphenyl)pyrimidine
CID 121107412
4-[4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine
CID 90517059
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 53071560
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921546
2-(2-chlorophenoxy)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90516926
4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 56764827
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-ethoxyphenyl)pyrimidine
CID 121107411

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine (CID 90517170) is 4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine is COc1ccc(-c2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)ncn2)cc1.
What is the InChIKey of 4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine?
The InChIKey is ZKQLQDQYEGNLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3S/c1-30-16-7-5-15(6-8-16)18-13-20(25-14-24-18)26-9-11-27(12-10-26)31(28,29)19-4-2-3-17(22)21(19)23/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine?
4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine has a molecular weight of 479.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 90517170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).