N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide

C20H24ClFN4O4S — CID 75549218

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCN(S(=O)(=O)c2ccc(C3CCNN3)o2)CC1
InChIInChI=1S/C20H24ClFN4O4S/c21-16-11-15(22)2-1-14(16)12-23-20(27)13-6-9-26(10-7-13)31(28,29)19-4-3-18(30-19)17-5-8-24-25-17/h1-4,11,13,17,24-25H,5-10,12H2,(H,23,27)
InChIKeyFHIOBXZFNAAYPF-UHFFFAOYSA-N
MW470.95 g/mol
LogP2.33
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 75549218) has the molecular formula C20H24ClFN4O4S and a molecular weight of 470.95 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide
PubChem CID75549218
Molecular FormulaC20H24ClFN4O4S
Molecular Weight470.95 g/mol
Exact Mass470.12
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCN(S(=O)(=O)c2ccc(C3CCNN3)o2)CC1
InChIInChI=1S/C20H24ClFN4O4S/c21-16-11-15(22)2-1-14(16)12-23-20(27)13-6-9-26(10-7-13)31(28,29)19-4-3-18(30-19)17-5-8-24-25-17/h1-4,11,13,17,24-25H,5-10,12H2,(H,23,27)
InChIKeyFHIOBXZFNAAYPF-UHFFFAOYSA-N
XLogP2.33
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.95
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011
N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72887342
N-[(2-chloro-4-cyanophenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 171622010
(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
CID 97116009
N-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 44591915
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 167981659
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53283175
1-(benzenesulfonyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 46485716
N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 44591952
N-[(4-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55802223

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide (CID 75549218) is N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide is O=C(NCc1ccc(F)cc1Cl)C1CCN(S(=O)(=O)c2ccc(C3CCNN3)o2)CC1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FHIOBXZFNAAYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O4S/c21-16-11-15(22)2-1-14(16)12-23-20(27)13-6-9-26(10-7-13)31(28,29)19-4-3-18(30-19)17-5-8-24-25-17/h1-4,11,13,17,24-25H,5-10,12H2,(H,23,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 470.95 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 75549218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).