2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine

C18H18N4O2S — CID 43816312

IUPAC2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H18N4O2S/c23-25(24,17-8-3-6-15-5-1-2-7-16(15)17)22-13-11-21(12-14-22)18-19-9-4-10-20-18/h1-10H,11-14H2
InChIKeyXGUNZKHGTYTZLL-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.14
Rot. Bonds3

About 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine

2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 43816312) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID43816312
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H18N4O2S/c23-25(24,17-8-3-6-15-5-1-2-7-16(15)17)22-13-11-21(12-14-22)18-19-9-4-10-20-18/h1-10H,11-14H2
InChIKeyXGUNZKHGTYTZLL-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-naphthalen-1-ylsulfonylpiperazin-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-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine (CID 43816312) is 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine is O=S(=O)(c1cccc2ccccc12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is XGUNZKHGTYTZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-25(24,17-8-3-6-15-5-1-2-7-16(15)17)22-13-11-21(12-14-22)18-19-9-4-10-20-18/h1-10H,11-14H2.
What are the key properties of 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine?
2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 354.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 43816312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).