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

C21H21ClN4O3S — CID 53071556

IUPAC4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)ncn2)c1
InChIInChI=1S/C21H21ClN4O3S/c1-29-18-6-2-4-16(12-18)20-14-21(24-15-23-20)25-8-10-26(11-9-25)30(27,28)19-7-3-5-17(22)13-19/h2-7,12-15H,8-11H2,1H3
InChIKeyFDGMQVWNJFGJKJ-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.32
Rot. Bonds5

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

4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine (PubChem CID 53071556) has the molecular formula C21H21ClN4O3S and a molecular weight of 444.94 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
PubChem CID53071556
Molecular FormulaC21H21ClN4O3S
Molecular Weight444.94 g/mol
Exact Mass444.10
IUPAC Name4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)ncn2)c1
InChIInChI=1S/C21H21ClN4O3S/c1-29-18-6-2-4-16(12-18)20-14-21(24-15-23-20)25-8-10-26(11-9-25)30(27,28)19-7-3-5-17(22)13-19/h2-7,12-15H,8-11H2,1H3
InChIKeyFDGMQVWNJFGJKJ-UHFFFAOYSA-N
XLogP3.32
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-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

Related Compounds

4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-ethoxyphenyl)pyrimidine
CID 121107412
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 53071560
4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 53071564
4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517144
4-[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 131841726
4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517170
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 90517128
4-(4-fluorophenyl)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121107461
2-(4-chlorophenoxy)-1-[4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 50841077
4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56919524
4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(4-ethoxyphenyl)pyrimidine
CID 121107425
4-(4-ethoxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121107413

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine?
The IUPAC name of 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine (CID 53071556) is 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine is COc1cccc(-c2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)ncn2)c1.
What is the InChIKey of 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine?
The InChIKey is FDGMQVWNJFGJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3S/c1-29-18-6-2-4-16(12-18)20-14-21(24-15-23-20)25-8-10-26(11-9-25)30(27,28)19-7-3-5-17(22)13-19/h2-7,12-15H,8-11H2,1H3.
What are the key properties of 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine?
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine has a molecular weight of 444.94 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine is sourced from PubChem (CID 53071556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).