2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine

C14H16N4O2S — CID 4669887

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N4O2S/c19-21(20,13-5-2-1-3-6-13)18-11-9-17(10-12-18)14-15-7-4-8-16-14/h1-8H,9-12H2
InChIKeyIENHGDSGTMNWCT-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.99
Rot. Bonds3

About 2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine

2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine (PubChem CID 4669887) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine
PubChem CID4669887
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N4O2S/c19-21(20,13-5-2-1-3-6-13)18-11-9-17(10-12-18)14-15-7-4-8-16-14/h1-8H,9-12H2
InChIKeyIENHGDSGTMNWCT-UHFFFAOYSA-N
XLogP0.99
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Sulfadiazine
CID 5215
2-Benzenesulfonamidopyrimidine
CID 152190
2-[4-(4-Chlorobenzenesulfonyl)piperazin-1-yl]pyrimidine
CID 703841
2-Tosyliminopyrimidine
CID 403569
4-Chloro-N-pyrimidin-2-yl-benzenesulfonamide
CID 935725
N-(2-pyrimidin-2-ylsulfanylpropyl)benzenesulfonamide
CID 4459245
1-[(2,5-Difluorophenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 6466285
4-fluoro-N-methyl-N-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide
CID 9169610
2-[4-(2-Bromophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 4826066
2-(4-((4-Fluorophenyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 846131
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 2122333
4-chloro-N-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2488220

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine (CID 4669887) is 2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine is O=S(=O)(c1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine?
The InChIKey is IENHGDSGTMNWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-21(20,13-5-2-1-3-6-13)18-11-9-17(10-12-18)14-15-7-4-8-16-14/h1-8H,9-12H2.
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine?
2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine has a molecular weight of 304.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 4669887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).