N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

C25H23FN2O3S — CID 24637031

IUPACN-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H23FN2O3S/c26-23-7-3-4-8-24(23)32(30,31)28-13-11-17(12-14-28)25(29)27-20-9-10-22-19(16-20)15-18-5-1-2-6-21(18)22/h1-10,16-17H,11-15H2,(H,27,29)
InChIKeyJGOCTISFIMEPAJ-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.44
Rot. Bonds4

About N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 24637031) has the molecular formula C25H23FN2O3S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID24637031
Molecular FormulaC25H23FN2O3S
Molecular Weight450.54 g/mol
Exact Mass450.14
IUPAC NameN-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H23FN2O3S/c26-23-7-3-4-8-24(23)32(30,31)28-13-11-17(12-14-28)25(29)27-20-9-10-22-19(16-20)15-18-5-1-2-6-21(18)22/h1-10,16-17H,11-15H2,(H,27,29)
InChIKeyJGOCTISFIMEPAJ-UHFFFAOYSA-N
XLogP4.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 24637031) is N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is JGOCTISFIMEPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3S/c26-23-7-3-4-8-24(23)32(30,31)28-13-11-17(12-14-28)25(29)27-20-9-10-22-19(16-20)15-18-5-1-2-6-21(18)22/h1-10,16-17H,11-15H2,(H,27,29).
What are the key properties of N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24637031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).