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

C21H24Cl2N2O3S — CID 26711882

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)c(C)c1
InChIInChI=1S/C21H24Cl2N2O3S/c1-14-3-6-20(15(2)11-14)29(27,28)25-9-7-16(8-10-25)21(26)24-13-17-4-5-18(22)12-19(17)23/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,24,26)
InChIKeyIEQGAFHNQWAXHQ-UHFFFAOYSA-N
MW455.41 g/mol
LogP4.33
Rot. Bonds5

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

N-[(2,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26711882) has the molecular formula C21H24Cl2N2O3S and a molecular weight of 455.41 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26711882
Molecular FormulaC21H24Cl2N2O3S
Molecular Weight455.41 g/mol
Exact Mass454.09
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)c(C)c1
InChIInChI=1S/C21H24Cl2N2O3S/c1-14-3-6-20(15(2)11-14)29(27,28)25-9-7-16(8-10-25)21(26)24-13-17-4-5-18(22)12-19(17)23/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,24,26)
InChIKeyIEQGAFHNQWAXHQ-UHFFFAOYSA-N
XLogP4.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 26711882) is N-[(2,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(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-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is IEQGAFHNQWAXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3S/c1-14-3-6-20(15(2)11-14)29(27,28)25-9-7-16(8-10-25)21(26)24-13-17-4-5-18(22)12-19(17)23/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,24,26).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 455.41 g/mol, XLogP of 4.33, 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-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26711882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).