N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C24H22F2N2O4S — CID 55907296

IUPACN-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H22F2N2O4S/c25-18-4-10-23(11-5-18)33(30,31)28-14-12-17(13-15-28)24(29)27-20-6-8-21(9-7-20)32-22-3-1-2-19(26)16-22/h1-11,16-17H,12-15H2,(H,27,29)
InChIKeyLQONFPSSUKQOGT-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.80
Rot. Bonds6

About N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55907296) has the molecular formula C24H22F2N2O4S and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55907296
Molecular FormulaC24H22F2N2O4S
Molecular Weight472.51 g/mol
Exact Mass472.13
IUPAC NameN-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H22F2N2O4S/c25-18-4-10-23(11-5-18)33(30,31)28-14-12-17(13-15-28)24(29)27-20-6-8-21(9-7-20)32-22-3-1-2-19(26)16-22/h1-11,16-17H,12-15H2,(H,27,29)
InChIKeyLQONFPSSUKQOGT-UHFFFAOYSA-N
XLogP4.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 34033203
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 100652108
N-[4-(3-fluorophenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119299172
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24687006
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 8802762
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 55907296) is N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LQONFPSSUKQOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4S/c25-18-4-10-23(11-5-18)33(30,31)28-14-12-17(13-15-28)24(29)27-20-6-8-21(9-7-20)32-22-3-1-2-19(26)16-22/h1-11,16-17H,12-15H2,(H,27,29).
What are the key properties of N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55907296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).