[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol

C24H24FNO3S — CID 6736941

IUPAC[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
SMILESO=S(=O)(c1ccccc1F)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H24FNO3S/c25-22-13-7-8-14-23(22)30(28,29)26-17-15-21(16-18-26)24(27,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21,27H,15-18H2
InChIKeyYROCMWMEBAWTHL-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.16
Rot. Bonds5

About [1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol

[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol (PubChem CID 6736941) has the molecular formula C24H24FNO3S and a molecular weight of 425.53 g/mol. Its IUPAC name is [1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
PubChem CID6736941
Molecular FormulaC24H24FNO3S
Molecular Weight425.53 g/mol
Exact Mass425.15
IUPAC Name[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
SMILESO=S(=O)(c1ccccc1F)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H24FNO3S/c25-22-13-7-8-14-23(22)30(28,29)26-17-15-21(16-18-26)24(27,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21,27H,15-18H2
InChIKeyYROCMWMEBAWTHL-UHFFFAOYSA-N
XLogP4.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol (CID 6736941) is [1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol is O=S(=O)(c1ccccc1F)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol?
The InChIKey is YROCMWMEBAWTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3S/c25-22-13-7-8-14-23(22)30(28,29)26-17-15-21(16-18-26)24(27,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21,27H,15-18H2.
What are the key properties of [1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol?
[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol has a molecular weight of 425.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 6736941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).