2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine

C14H14ClFN4O2S — CID 23762678

IUPAC2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H14ClFN4O2S/c15-12-9-11(1-2-13(12)16)23(21,22)20-7-5-19(6-8-20)14-10-17-3-4-18-14/h1-4,9-10H,5-8H2
InChIKeyRCIFDZAHNLPZMV-UHFFFAOYSA-N
MW356.81 g/mol
LogP1.78
Rot. Bonds3

About 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine

2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine (PubChem CID 23762678) has the molecular formula C14H14ClFN4O2S and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
PubChem CID23762678
Molecular FormulaC14H14ClFN4O2S
Molecular Weight356.81 g/mol
Exact Mass356.05
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H14ClFN4O2S/c15-12-9-11(1-2-13(12)16)23(21,22)20-7-5-19(6-8-20)14-10-17-3-4-18-14/h1-4,9-10H,5-8H2
InChIKeyRCIFDZAHNLPZMV-UHFFFAOYSA-N
XLogP1.78
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
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4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 122344247
2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine
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CID 42317930
1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 133352307
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490672
1-(3-chloro-4-fluorophenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 24506534
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 35405989
2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol
CID 23962785
3-chloro-6-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 56584208

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine (CID 23762678) is 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine?
The InChIKey is RCIFDZAHNLPZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O2S/c15-12-9-11(1-2-13(12)16)23(21,22)20-7-5-19(6-8-20)14-10-17-3-4-18-14/h1-4,9-10H,5-8H2.
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine?
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine has a molecular weight of 356.81 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine is sourced from PubChem (CID 23762678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).