2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine

C16H17Cl2N3O3S — CID 71799317

IUPAC2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine
SMILESCc1cc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)c(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O3S/c1-11-8-15(14(18)9-13(11)17)25(22,23)21-6-2-12(3-7-21)24-16-10-19-4-5-20-16/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyOPYAKUMMLVHDQU-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.32
Rot. Bonds4

About 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine

2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine (PubChem CID 71799317) has the molecular formula C16H17Cl2N3O3S and a molecular weight of 402.30 g/mol. Its IUPAC name is 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine
PubChem CID71799317
Molecular FormulaC16H17Cl2N3O3S
Molecular Weight402.30 g/mol
Exact Mass401.04
IUPAC Name2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine
SMILESCc1cc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)c(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O3S/c1-11-8-15(14(18)9-13(11)17)25(22,23)21-6-2-12(3-7-21)24-16-10-19-4-5-20-16/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyOPYAKUMMLVHDQU-UHFFFAOYSA-N
XLogP3.32
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558922
3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridazine
CID 90559750
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
CID 71799633
4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine
CID 122160912
2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 90559144
2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine
CID 90559116
2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine
CID 164625321
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636391
2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636364
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636381
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine?
The IUPAC name of 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine (CID 71799317) is 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine?
The canonical SMILES for 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine is Cc1cc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)c(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine?
The InChIKey is OPYAKUMMLVHDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S/c1-11-8-15(14(18)9-13(11)17)25(22,23)21-6-2-12(3-7-21)24-16-10-19-4-5-20-16/h4-5,8-10,12H,2-3,6-7H2,1H3.
What are the key properties of 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine?
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine has a molecular weight of 402.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine is sourced from PubChem (CID 71799317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).