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

C17H20F2N4O3S — CID 110335810

IUPACN-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C17H20F2N4O3S/c1-10-16(11(2)22-21-10)27(25,26)23-7-3-4-12(9-23)17(24)20-15-6-5-13(18)8-14(15)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyJDPXVXBGXTXSQG-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.34
Rot. Bonds4

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

N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 110335810) has the molecular formula C17H20F2N4O3S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID110335810
Molecular FormulaC17H20F2N4O3S
Molecular Weight398.44 g/mol
Exact Mass398.12
IUPAC NameN-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C17H20F2N4O3S/c1-10-16(11(2)22-21-10)27(25,26)23-7-3-4-12(9-23)17(24)20-15-6-5-13(18)8-14(15)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyJDPXVXBGXTXSQG-UHFFFAOYSA-N
XLogP2.34
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 110335805
N-(2-cyanophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335811
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-3-carboxamide
CID 1283960
(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92661322
(3S)-N-(2,4-difluorophenyl)-1-[[5-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92887254
N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023400
(3R)-N-(2,4-difluorophenyl)-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92864679
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335763
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-fluoro-2-methylphenyl)piperidine-3-carboxamide
CID 24531918
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
(3S)-N-(2,4-difluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397123

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 110335810) is N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc(F)cc2F)C1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is JDPXVXBGXTXSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O3S/c1-10-16(11(2)22-21-10)27(25,26)23-7-3-4-12(9-23)17(24)20-15-6-5-13(18)8-14(15)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 110335810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).