2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine

C14H14F2N4O2S — CID 2349149

IUPAC2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H14F2N4O2S/c15-11-8-12(16)10-13(9-11)23(21,22)20-6-4-19(5-7-20)14-17-2-1-3-18-14/h1-3,8-10H,4-7H2
InChIKeyUFCSDQWEZFYVGD-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.27
Rot. Bonds3

About 2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine

2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 2349149) has the molecular formula C14H14F2N4O2S and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID2349149
Molecular FormulaC14H14F2N4O2S
Molecular Weight340.36 g/mol
Exact Mass340.08
IUPAC Name2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H14F2N4O2S/c15-11-8-12(16)10-13(9-11)23(21,22)20-6-4-19(5-7-20)14-17-2-1-3-18-14/h1-3,8-10H,4-7H2
InChIKeyUFCSDQWEZFYVGD-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 2349149) is 2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine is O=S(=O)(c1cc(F)cc(F)c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is UFCSDQWEZFYVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2S/c15-11-8-12(16)10-13(9-11)23(21,22)20-6-4-19(5-7-20)14-17-2-1-3-18-14/h1-3,8-10H,4-7H2.
What are the key properties of 2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine?
2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 340.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 2349149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).