1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine

C19H22FNO6S2 — CID 71809046

IUPAC1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2)cc1
InChIInChI=1S/C19H22FNO6S2/c1-26-14-3-5-15(6-4-14)28(22,23)16-9-11-21(12-10-16)29(24,25)17-7-8-19(27-2)18(20)13-17/h3-8,13,16H,9-12H2,1-2H3
InChIKeyRQAHCWALWVLMMC-UHFFFAOYSA-N
MW443.52 g/mol
LogP2.47
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine

1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine (PubChem CID 71809046) has the molecular formula C19H22FNO6S2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
PubChem CID71809046
Molecular FormulaC19H22FNO6S2
Molecular Weight443.52 g/mol
Exact Mass443.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2)cc1
InChIInChI=1S/C19H22FNO6S2/c1-26-14-3-5-15(6-4-14)28(22,23)16-9-11-21(12-10-16)29(24,25)17-7-8-19(27-2)18(20)13-17/h3-8,13,16H,9-12H2,1-2H3
InChIKeyRQAHCWALWVLMMC-UHFFFAOYSA-N
XLogP2.47
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine (CID 71809046) is 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2)cc1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine?
The InChIKey is RQAHCWALWVLMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO6S2/c1-26-14-3-5-15(6-4-14)28(22,23)16-9-11-21(12-10-16)29(24,25)17-7-8-19(27-2)18(20)13-17/h3-8,13,16H,9-12H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine?
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine has a molecular weight of 443.52 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 71809046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).