2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol

C14H14Cl2N4O3S — CID 23962785

IUPAC2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H14Cl2N4O3S/c15-10-7-11(16)14(21)12(8-10)24(22,23)20-5-3-19(4-6-20)13-9-17-1-2-18-13/h1-2,7-9,21H,3-6H2
InChIKeyCTFRITZNNLRQQA-UHFFFAOYSA-N
MW389.26 g/mol
LogP2.00
Rot. Bonds3

About 2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol

2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol (PubChem CID 23962785) has the molecular formula C14H14Cl2N4O3S and a molecular weight of 389.26 g/mol. Its IUPAC name is 2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol.

Molecular Properties

Compound Name2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol
PubChem CID23962785
Molecular FormulaC14H14Cl2N4O3S
Molecular Weight389.26 g/mol
Exact Mass388.02
IUPAC Name2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H14Cl2N4O3S/c15-10-7-11(16)14(21)12(8-10)24(22,23)20-5-3-19(4-6-20)13-9-17-1-2-18-13/h1-2,7-9,21H,3-6H2
InChIKeyCTFRITZNNLRQQA-UHFFFAOYSA-N
XLogP2.00
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678
2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol
CID 4912877
2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317930
2,4-dichloro-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenol
CID 3598660
methyl 3-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylate
CID 3709247
2-[4-(bromomethylsulfonyl)piperazin-1-yl]pyrazine
CID 83092433
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
2,4-dichloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenol
CID 3810711
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]pyrazine
CID 2569467
2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317830
6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 35405989

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol?
The IUPAC name of 2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol (CID 23962785) is 2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol.
What is the SMILES notation for 2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol?
The canonical SMILES for 2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol is O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol?
The InChIKey is CTFRITZNNLRQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O3S/c15-10-7-11(16)14(21)12(8-10)24(22,23)20-5-3-19(4-6-20)13-9-17-1-2-18-13/h1-2,7-9,21H,3-6H2.
What are the key properties of 2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol?
2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol has a molecular weight of 389.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol is sourced from PubChem (CID 23962785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).