1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine

C16H17F2N3O3S — CID 172655844

IUPAC1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCOc1cc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(F)c1
InChIInChI=1S/C16H17F2N3O3S/c1-24-12-10-13(17)16(14(18)11-12)25(22,23)21-8-6-20(7-9-21)15-4-2-3-5-19-15/h2-5,10-11H,6-9H2,1H3
InChIKeyYHWPQWHUSFVGKO-UHFFFAOYSA-N
MW369.39 g/mol
LogP1.88
Rot. Bonds4

About 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine

1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 172655844) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID172655844
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCOc1cc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(F)c1
InChIInChI=1S/C16H17F2N3O3S/c1-24-12-10-13(17)16(14(18)11-12)25(22,23)21-8-6-20(7-9-21)15-4-2-3-5-19-15/h2-5,10-11H,6-9H2,1H3
InChIKeyYHWPQWHUSFVGKO-UHFFFAOYSA-N
XLogP1.88
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3851525
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
CID 19682926
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350054
1,3,6,7-tetramethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylxanthen-9-one
CID 46830280
1-(5-bromo-2-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 17460713
1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001
1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 701155
1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine (CID 172655844) is 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine is COc1cc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(F)c1.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is YHWPQWHUSFVGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-24-12-10-13(17)16(14(18)11-12)25(22,23)21-8-6-20(7-9-21)15-4-2-3-5-19-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 369.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 172655844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).