1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide

C19H18F2N4O3S2 — CID 52719534

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H18F2N4O3S2/c20-13-3-4-14(21)17(10-13)30(27,28)25-7-5-12(6-8-25)19(26)22-18-11-15(23-24-18)16-2-1-9-29-16/h1-4,9-12H,5-8H2,(H2,22,23,24,26)
InChIKeyZABQGCJGSADEJI-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.46
Rot. Bonds5

About 1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide (PubChem CID 52719534) has the molecular formula C19H18F2N4O3S2 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide
PubChem CID52719534
Molecular FormulaC19H18F2N4O3S2
Molecular Weight452.51 g/mol
Exact Mass452.08
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H18F2N4O3S2/c20-13-3-4-14(21)17(10-13)30(27,28)25-7-5-12(6-8-25)19(26)22-18-11-15(23-24-18)16-2-1-9-29-16/h1-4,9-12H,5-8H2,(H2,22,23,24,26)
InChIKeyZABQGCJGSADEJI-UHFFFAOYSA-N
XLogP3.46
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Fluorophenyl)-1-{4-[3-(thiophen-2-YL)-1H-pyrazol-5-YL]piperazin-1-YL}ethan-1-one
CID 75527399
3,4-Difluoro-N-{1-[3-(thiophen-2-YL)-1H-pyrazol-5-YL]piperidin-4-YL}benzamide
CID 75528388
2,4-Difluoro-N-{1-[3-(thiophen-2-YL)-1H-pyrazol-5-YL]piperidin-4-YL}benzamide
CID 75528396
N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-2-(3-thienyl)acetamide
CID 91904825
N-(1-(2-hydroxyethyl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 49677516
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 11582523
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
CID 91408777
3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
CID 73443125
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 45915270
4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719416
3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719563
4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719568

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide (CID 52719534) is 1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide is O=C(Nc1cc(-c2cccs2)[nH]n1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide?
The InChIKey is ZABQGCJGSADEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3S2/c20-13-3-4-14(21)17(10-13)30(27,28)25-7-5-12(6-8-25)19(26)22-18-11-15(23-24-18)16-2-1-9-29-16/h1-4,9-12H,5-8H2,(H2,22,23,24,26).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 52719534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).