N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C22H26Cl2N2O3S — CID 1306384

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)c(C)c1
InChIInChI=1S/C22H26Cl2N2O3S/c1-14-10-15(2)21(16(3)11-14)30(28,29)26-8-6-17(7-9-26)22(27)25-13-18-4-5-19(23)12-20(18)24/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,27)
InChIKeyHRKVSQNBSGFSQY-UHFFFAOYSA-N
MW469.43 g/mol
LogP4.64
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1306384) has the molecular formula C22H26Cl2N2O3S and a molecular weight of 469.43 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1306384
Molecular FormulaC22H26Cl2N2O3S
Molecular Weight469.43 g/mol
Exact Mass468.10
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)c(C)c1
InChIInChI=1S/C22H26Cl2N2O3S/c1-14-10-15(2)21(16(3)11-14)30(28,29)26-8-6-17(7-9-26)22(27)25-13-18-4-5-19(23)12-20(18)24/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,27)
InChIKeyHRKVSQNBSGFSQY-UHFFFAOYSA-N
XLogP4.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3,5-Dichlorophenyl)sulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 134604213
N-benzyl-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 21372902
N-(2,4-dichlorobenzyl)-1-(2-fluorophenylsulfonyl)piperidine-4-carboxamide
CID 27646915
1-(2-bromophenylsulfonyl)-N-(2,4-dichlorobenzyl)piperidine-4-carboxamide
CID 44591943
N-(2-chloro-6-fluorobenzyl)-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 44591963
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
N-(2-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 1209529
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327917
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2536589
N-(2-chlorobenzyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236552
N-(2-chlorobenzyl)-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
CID 4450442
N-(3-((2-chlorobenzyl)amino)-3-oxopropyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 16420567

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 1306384) is N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)c(C)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HRKVSQNBSGFSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O3S/c1-14-10-15(2)21(16(3)11-14)30(28,29)26-8-6-17(7-9-26)22(27)25-13-18-4-5-19(23)12-20(18)24/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,27).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 469.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1306384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).