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

C14H15ClN4O2S — CID 703841

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H15ClN4O2S/c15-12-2-4-13(5-3-12)22(20,21)19-10-8-18(9-11-19)14-16-6-1-7-17-14/h1-7H,8-11H2
InChIKeyZCYCZDZSEDMTRV-UHFFFAOYSA-N
MW338.82 g/mol
LogP1.64
Rot. Bonds3

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

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 703841) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID703841
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H15ClN4O2S/c15-12-2-4-13(5-3-12)22(20,21)19-10-8-18(9-11-19)14-16-6-1-7-17-14/h1-7H,8-11H2
InChIKeyZCYCZDZSEDMTRV-UHFFFAOYSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-chlorophenyl)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-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 703841) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is ZCYCZDZSEDMTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c15-12-2-4-13(5-3-12)22(20,21)19-10-8-18(9-11-19)14-16-6-1-7-17-14/h1-7H,8-11H2.
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 338.82 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 703841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).