1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine

C16H18FN3O3S — CID 6472666

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H18FN3O3S/c1-23-14-6-5-13(17)12-15(14)24(21,22)20-10-8-19(9-11-20)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3
InChIKeyRHWVKYICSYONNW-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.74
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine

1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 6472666) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID6472666
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H18FN3O3S/c1-23-14-6-5-13(17)12-15(14)24(21,22)20-10-8-19(9-11-20)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3
InChIKeyRHWVKYICSYONNW-UHFFFAOYSA-N
XLogP1.74
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
5-fluoro-2-methoxy-N-(pyridin-3-yl)benzenesulfonamide
CID 16654595
1-[3-(4-Fluorophenoxy)propyl]-4-pyridin-2-ylpiperazine
CID 44209472
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide
CID 118527019
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
1-((2,5-Dimethoxyphenyl)sulfonyl)-4-(2-pyridyl)piperazine
CID 1091562
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 1091567
Ethyl 2-[[(4-methoxyphenyl)sulfonyl](2-pyridinyl)amino]acetate
CID 2765461
1-({1-[(2,5-Dimethoxyphenyl)sulfonyl]piperidin-2-yl}carbonyl)-4-pyridin-2-ylpiperazine
CID 3236863
4-methoxy-N-(6-morpholino-3-pyridinyl)benzenesulfonamide
CID 3608807

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine (CID 6472666) is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine is COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is RHWVKYICSYONNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-23-14-6-5-13(17)12-15(14)24(21,22)20-10-8-19(9-11-20)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 351.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 6472666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).