1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine

C15H16F2N2O6S2 — CID 44543617

IUPAC1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine
SMILESCOc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccco3)CC2)c(F)c1
InChIInChI=1S/C15H16F2N2O6S2/c1-24-11-9-12(16)15(13(17)10-11)27(22,23)19-6-4-18(5-7-19)26(20,21)14-3-2-8-25-14/h2-3,8-10H,4-7H2,1H3
InChIKeyPAOXORRJKNIDEM-UHFFFAOYSA-N
MW422.43 g/mol
LogP1.26
Rot. Bonds5

About 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine

1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine (PubChem CID 44543617) has the molecular formula C15H16F2N2O6S2 and a molecular weight of 422.43 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine
PubChem CID44543617
Molecular FormulaC15H16F2N2O6S2
Molecular Weight422.43 g/mol
Exact Mass422.04
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine
SMILESCOc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccco3)CC2)c(F)c1
InChIInChI=1S/C15H16F2N2O6S2/c1-24-11-9-12(16)15(13(17)10-11)27(22,23)19-6-4-18(5-7-19)26(20,21)14-3-2-8-25-14/h2-3,8-10H,4-7H2,1H3
InChIKeyPAOXORRJKNIDEM-UHFFFAOYSA-N
XLogP1.26
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine (CID 44543617) is 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine is COc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccco3)CC2)c(F)c1.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine?
The InChIKey is PAOXORRJKNIDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O6S2/c1-24-11-9-12(16)15(13(17)10-11)27(22,23)19-6-4-18(5-7-19)26(20,21)14-3-2-8-25-14/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine?
1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine has a molecular weight of 422.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine is sourced from PubChem (CID 44543617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).