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

C21H20Cl2N4O3S — CID 90517144

IUPAC4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncn2)cc1
InChIInChI=1S/C21H20Cl2N4O3S/c1-30-16-4-2-15(3-5-16)20-13-21(25-14-24-20)26-8-10-27(11-9-26)31(28,29)17-6-7-18(22)19(23)12-17/h2-7,12-14H,8-11H2,1H3
InChIKeyFCQLJYGXMHATMR-UHFFFAOYSA-N
MW479.39 g/mol
LogP3.97
Rot. Bonds5

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

4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine (PubChem CID 90517144) has the molecular formula C21H20Cl2N4O3S and a molecular weight of 479.39 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
PubChem CID90517144
Molecular FormulaC21H20Cl2N4O3S
Molecular Weight479.39 g/mol
Exact Mass478.06
IUPAC Name4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncn2)cc1
InChIInChI=1S/C21H20Cl2N4O3S/c1-30-16-4-2-15(3-5-16)20-13-21(25-14-24-20)26-8-10-27(11-9-26)31(28,29)17-6-7-18(22)19(23)12-17/h2-7,12-14H,8-11H2,1H3
InChIKeyFCQLJYGXMHATMR-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

Analyze 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine (CID 90517144) is 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine is COc1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncn2)cc1.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine?
The InChIKey is FCQLJYGXMHATMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3S/c1-30-16-4-2-15(3-5-16)20-13-21(25-14-24-20)26-8-10-27(11-9-26)31(28,29)17-6-7-18(22)19(23)12-17/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine?
4-[4-(3,4-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-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 90517144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).