1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide

C20H18F2N2O3S — CID 55514825

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide
SMILESC#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C20H18F2N2O3S/c1-2-14-4-3-5-17(12-14)23-20(25)15-8-10-24(11-9-15)28(26,27)19-13-16(21)6-7-18(19)22/h1,3-7,12-13,15H,8-11H2,(H,23,25)
InChIKeyCZZAVZOPDIDSRM-UHFFFAOYSA-N
MW404.44 g/mol
LogP2.99
Rot. Bonds4

About 1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide (PubChem CID 55514825) has the molecular formula C20H18F2N2O3S and a molecular weight of 404.44 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide
PubChem CID55514825
Molecular FormulaC20H18F2N2O3S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide
SMILESC#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C20H18F2N2O3S/c1-2-14-4-3-5-17(12-14)23-20(25)15-8-10-24(11-9-15)28(26,27)19-13-16(21)6-7-18(19)22/h1,3-7,12-13,15H,8-11H2,(H,23,25)
InChIKeyCZZAVZOPDIDSRM-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46823369
N-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55779087
1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
CID 55521485
N-(3-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24638911
1-(2,5-difluorophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 46536758
1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide
CID 55601726
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452
1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide
CID 46467269
N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26727729
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 100780352

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide (CID 55514825) is 1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide is C#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide?
The InChIKey is CZZAVZOPDIDSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3S/c1-2-14-4-3-5-17(12-14)23-20(25)15-8-10-24(11-9-15)28(26,27)19-13-16(21)6-7-18(19)22/h1,3-7,12-13,15H,8-11H2,(H,23,25).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 2.99, 4 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-(3-ethynylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55514825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).