1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide

C22H22Cl2N4O3S — CID 55729018

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(-c2ccn[nH]2)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C22H22Cl2N4O3S/c23-18-5-6-19(24)21(13-18)32(30,31)28-11-8-17(9-12-28)22(29)25-14-15-1-3-16(4-2-15)20-7-10-26-27-20/h1-7,10,13,17H,8-9,11-12,14H2,(H,25,29)(H,26,27)
InChIKeyTUASXESAEHJJSD-UHFFFAOYSA-N
MW493.42 g/mol
LogP4.10
Rot. Bonds6

About 1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 55729018) has the molecular formula C22H22Cl2N4O3S and a molecular weight of 493.42 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID55729018
Molecular FormulaC22H22Cl2N4O3S
Molecular Weight493.42 g/mol
Exact Mass492.08
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(-c2ccn[nH]2)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C22H22Cl2N4O3S/c23-18-5-6-19(24)21(13-18)32(30,31)28-11-8-17(9-12-28)22(29)25-14-15-1-3-16(4-2-15)20-7-10-26-27-20/h1-7,10,13,17H,8-9,11-12,14H2,(H,25,29)(H,26,27)
InChIKeyTUASXESAEHJJSD-UHFFFAOYSA-N
XLogP4.10
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]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

N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 2210411
N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 50784607
1-(2,5-dichlorophenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 3157088
1-(4-chlorophenyl)sulfonyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 100659038
1-(2,5-dichlorophenyl)sulfonyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78803662
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874930
1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2187606
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 50841322
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39753818
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide
CID 60526283
1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 26903277

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide (CID 55729018) is 1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccc(-c2ccn[nH]2)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is TUASXESAEHJJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O3S/c23-18-5-6-19(24)21(13-18)32(30,31)28-11-8-17(9-12-28)22(29)25-14-15-1-3-16(4-2-15)20-7-10-26-27-20/h1-7,10,13,17H,8-9,11-12,14H2,(H,25,29)(H,26,27).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 493.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55729018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).