2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine

C15H18N4O3S — CID 897205

IUPAC2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C15H18N4O3S/c1-22-13-3-5-14(6-4-13)23(20,21)19-11-9-18(10-12-19)15-16-7-2-8-17-15/h2-8H,9-12H2,1H3
InChIKeyWBGHSLOWPMHRGU-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.00
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine

2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 897205) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID897205
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C15H18N4O3S/c1-22-13-3-5-14(6-4-13)23(20,21)19-11-9-18(10-12-19)15-16-7-2-8-17-15/h2-8H,9-12H2,1H3
InChIKeyWBGHSLOWPMHRGU-UHFFFAOYSA-N
XLogP1.00
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]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 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 897205) is 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine is COc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is WBGHSLOWPMHRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-22-13-3-5-14(6-4-13)23(20,21)19-11-9-18(10-12-19)15-16-7-2-8-17-15/h2-8H,9-12H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 334.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 897205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).