1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide

C22H22Cl2N4O3S — CID 55711297

IUPAC1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C22H22Cl2N4O3S/c23-19-3-1-4-20(24)21(19)32(30,31)27-13-9-17(10-14-27)22(29)25-15-16-5-7-18(8-6-16)28-12-2-11-26-28/h1-8,11-12,17H,9-10,13-15H2,(H,25,29)
InChIKeyCEQCGTHWYRCXCV-UHFFFAOYSA-N
MW493.42 g/mol
LogP3.90
Rot. Bonds6

About 1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide

1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 55711297) has the molecular formula C22H22Cl2N4O3S and a molecular weight of 493.42 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID55711297
Molecular FormulaC22H22Cl2N4O3S
Molecular Weight493.42 g/mol
Exact Mass492.08
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C22H22Cl2N4O3S/c23-19-3-1-4-20(24)21(19)32(30,31)27-13-9-17(10-14-27)22(29)25-15-16-5-7-18(8-6-16)28-12-2-11-26-28/h1-8,11-12,17H,9-10,13-15H2,(H,25,29)
InChIKeyCEQCGTHWYRCXCV-UHFFFAOYSA-N
XLogP3.90
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-pyrazol-1-ylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55753804
N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 119290427
methyl 4-[[[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate
CID 46561005
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 41412986
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 30395373
1-(benzenesulfonyl)-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 100645070
1-N-phenyl-3-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 55711481
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide
CID 46468442
1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 16572122
(1S,3aS,6aS)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxamide
CID 154571885

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide (CID 55711297) is 1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(-n2cccn2)cc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is CEQCGTHWYRCXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O3S/c23-19-3-1-4-20(24)21(19)32(30,31)27-13-9-17(10-14-27)22(29)25-15-16-5-7-18(8-6-16)28-12-2-11-26-28/h1-8,11-12,17H,9-10,13-15H2,(H,25,29).
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 493.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55711297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).