N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

C22H20Cl4N4O3S — CID 19405355

IUPACN-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H20Cl4N4O3S/c23-15-4-6-16(7-5-15)34(32,33)30-10-8-14(9-11-30)22(31)27-21-20(26)13-29(28-21)12-17-18(24)2-1-3-19(17)25/h1-7,13-14H,8-12H2,(H,27,28,31)
InChIKeyWFIQRLPTHQTOOT-UHFFFAOYSA-N
MW562.31 g/mol
LogP5.58
Rot. Bonds6

About N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 19405355) has the molecular formula C22H20Cl4N4O3S and a molecular weight of 562.31 g/mol. Its IUPAC name is N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID19405355
Molecular FormulaC22H20Cl4N4O3S
Molecular Weight562.31 g/mol
Exact Mass560.00
IUPAC NameN-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H20Cl4N4O3S/c23-15-4-6-16(7-5-15)34(32,33)30-10-8-14(9-11-30)22(31)27-21-20(26)13-29(28-21)12-17-18(24)2-1-3-19(17)25/h1-7,13-14H,8-12H2,(H,27,28,31)
InChIKeyWFIQRLPTHQTOOT-UHFFFAOYSA-N
XLogP5.58
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.31
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 19345200
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 19284740
1-(4-chlorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 19285252
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 17022797
1-(4-chlorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 19411726
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 27234775
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
CID 27745097
1-(4-chlorophenyl)sulfonyl-N-(1H-indol-4-yl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide (CID 19405355) is N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide is O=C(Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is WFIQRLPTHQTOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl4N4O3S/c23-15-4-6-16(7-5-15)34(32,33)30-10-8-14(9-11-30)22(31)27-21-20(26)13-29(28-21)12-17-18(24)2-1-3-19(17)25/h1-7,13-14H,8-12H2,(H,27,28,31).
What are the key properties of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 562.31 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19405355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).