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

C14H15ClN4O2S — CID 3870004

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H15ClN4O2S/c15-12-1-3-13(4-2-12)22(20,21)19-9-7-18(8-10-19)14-11-16-5-6-17-14/h1-6,11H,7-10H2
InChIKeyATUOCICGCGHFQS-UHFFFAOYSA-N
MW338.82 g/mol
LogP1.64
Rot. Bonds3

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

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazine (PubChem CID 3870004) 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]pyrazine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazine
PubChem CID3870004
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H15ClN4O2S/c15-12-1-3-13(4-2-12)22(20,21)19-9-7-18(8-10-19)14-11-16-5-6-17-14/h1-6,11H,7-10H2
InChIKeyATUOCICGCGHFQS-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazine (CID 3870004) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazine?
The InChIKey is ATUOCICGCGHFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c15-12-1-3-13(4-2-12)22(20,21)19-9-7-18(8-10-19)14-11-16-5-6-17-14/h1-6,11H,7-10H2.
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazine?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazine 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]pyrazine is sourced from PubChem (CID 3870004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).