1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide

C25H23F3N2O3S — CID 55583452

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C25H23F3N2O3S/c26-20-8-6-18(7-9-20)24(17-4-2-1-3-5-17)29-25(31)19-12-14-30(15-13-19)34(32,33)23-16-21(27)10-11-22(23)28/h1-11,16,19,24H,12-15H2,(H,29,31)
InChIKeyFIINKRGDMNUUDW-UHFFFAOYSA-N
MW488.53 g/mol
LogP4.41
Rot. Bonds6

About 1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 55583452) has the molecular formula C25H23F3N2O3S and a molecular weight of 488.53 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID55583452
Molecular FormulaC25H23F3N2O3S
Molecular Weight488.53 g/mol
Exact Mass488.14
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C25H23F3N2O3S/c26-20-8-6-18(7-9-20)24(17-4-2-1-3-5-17)29-25(31)19-12-14-30(15-13-19)34(32,33)23-16-21(27)10-11-22(23)28/h1-11,16,19,24H,12-15H2,(H,29,31)
InChIKeyFIINKRGDMNUUDW-UHFFFAOYSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
1-(2,5-difluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119454029
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144
N-[(4-ethoxyphenyl)-phenylmethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46441707
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 27799156
1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide
CID 55665895
1-(2-fluorophenyl)sulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794457
N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119499390
N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55376976
1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 120827948
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 60599241
1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 24614549

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide (CID 55583452) is 1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide is O=C(NC(c1ccccc1)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is FIINKRGDMNUUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3S/c26-20-8-6-18(7-9-20)24(17-4-2-1-3-5-17)29-25(31)19-12-14-30(15-13-19)34(32,33)23-16-21(27)10-11-22(23)28/h1-11,16,19,24H,12-15H2,(H,29,31).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 488.53 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55583452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).