1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

C20H20F4N2O5S — CID 50913221

IUPAC1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCN(C(=O)C1(O)CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F4N2O5S/c1-25(14-6-8-15(9-7-14)31-20(22,23)24)18(27)19(28)10-12-26(13-11-19)32(29,30)17-5-3-2-4-16(17)21/h2-9,28H,10-13H2,1H3
InChIKeyXTNLKZIJDYTJAP-UHFFFAOYSA-N
MW476.45 g/mol
LogP2.90
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 50913221) has the molecular formula C20H20F4N2O5S and a molecular weight of 476.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID50913221
Molecular FormulaC20H20F4N2O5S
Molecular Weight476.45 g/mol
Exact Mass476.10
IUPAC Name1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCN(C(=O)C1(O)CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F4N2O5S/c1-25(14-6-8-15(9-7-14)31-20(22,23)24)18(27)19(28)10-12-26(13-11-19)32(29,30)17-5-3-2-4-16(17)21/h2-9,28H,10-13H2,1H3
InChIKeyXTNLKZIJDYTJAP-UHFFFAOYSA-N
XLogP2.90
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187
1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 51001653
N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 3820684
3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane
CID 62866197
2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane
CID 131703378
1-(2-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123293205
N-(4-fluorophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
CID 126781555
(4-methylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 26097310
1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56882020
(4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124796749
4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 51001229
2-[4-(2-methoxyethoxy)phenyl]-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 59577883

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 50913221) is 1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is CN(C(=O)C1(O)CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is XTNLKZIJDYTJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O5S/c1-25(14-6-8-15(9-7-14)31-20(22,23)24)18(27)19(28)10-12-26(13-11-19)32(29,30)17-5-3-2-4-16(17)21/h2-9,28H,10-13H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 476.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-4-hydroxy-N-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 50913221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).