1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide

C20H22F2N2O4S — CID 55654250

IUPAC1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1F)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22F2N2O4S/c21-14-9-10-16(17(22)12-14)19(25)13-23-20(26)18-8-4-5-11-24(18)29(27,28)15-6-2-1-3-7-15/h1-3,6-7,9-10,12,18-19,25H,4-5,8,11,13H2,(H,23,26)
InChIKeyIAMWTONFTRXHMH-UHFFFAOYSA-N
MW424.47 g/mol
LogP2.36
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide

1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide (PubChem CID 55654250) has the molecular formula C20H22F2N2O4S and a molecular weight of 424.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
PubChem CID55654250
Molecular FormulaC20H22F2N2O4S
Molecular Weight424.47 g/mol
Exact Mass424.13
IUPAC Name1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1F)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22F2N2O4S/c21-14-9-10-16(17(22)12-14)19(25)13-23-20(26)18-8-4-5-11-24(18)29(27,28)15-6-2-1-3-7-15/h1-3,6-7,9-10,12,18-19,25H,4-5,8,11,13H2,(H,23,26)
InChIKeyIAMWTONFTRXHMH-UHFFFAOYSA-N
XLogP2.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-1-phenylbutan-2-yl]piperidine-3-carboxamide
CID 164610668
N-{(5S)-2,2-difluoro-6-hydroxy-5-[{[4-(hydroxymethyl)phenyl]sulfonyl}(pentyl)amino]hexyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
CID 86708067
N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)acetamide
CID 46888958
2-Hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 53383798
(2S)-N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-1-phenylbutan-2-yl]piperidine-2-carboxamide
CID 164615826
(3S)-N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-1-phenylbutan-2-yl]piperidine-3-carboxamide
CID 164617028
N-[(1R,5S)-6-hydroxy-5-[{[4-(hydroxymethyl)phenyl]sulfonyl}(3-methylbutyl)amino]-1-(trifluoromethyl)hexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
CID 59280375
2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzene-1-sulfonamide
CID 16895110
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]propanamide
CID 44334045
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]propanamide
CID 44334197
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 44334221
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 44334261

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide (CID 55654250) is 1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide is O=C(NCC(O)c1ccc(F)cc1F)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide?
The InChIKey is IAMWTONFTRXHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4S/c21-14-9-10-16(17(22)12-14)19(25)13-23-20(26)18-8-4-5-11-24(18)29(27,28)15-6-2-1-3-7-15/h1-3,6-7,9-10,12,18-19,25H,4-5,8,11,13H2,(H,23,26).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide is sourced from PubChem (CID 55654250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).