N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C20H23BrN2O3S — CID 26913868

IUPACN-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c(C)c1
InChIInChI=1S/C20H23BrN2O3S/c1-14-3-8-19(15(2)13-14)27(25,26)23-11-9-16(10-12-23)20(24)22-18-6-4-17(21)5-7-18/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyMJBYLMZEAUEJCC-UHFFFAOYSA-N
MW451.39 g/mol
LogP4.11
Rot. Bonds4

About N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26913868) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26913868
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC NameN-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c(C)c1
InChIInChI=1S/C20H23BrN2O3S/c1-14-3-8-19(15(2)13-14)27(25,26)23-11-9-16(10-12-23)20(24)22-18-6-4-17(21)5-7-18/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyMJBYLMZEAUEJCC-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26536772
1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26412245
1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26641666
1-(2,4-dimethylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 45741848
N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141992
(E)-N-(4-bromo-2-fluorophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 2087148
4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide
CID 2216524
N-(2,4-dimethylphenyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}butanamide
CID 3135463
1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24981756
N-(4-bromo-3-methylphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 25161831
1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26087805
1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 26114956

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 26913868) is N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c(C)c1.
What is the InChIKey of N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MJBYLMZEAUEJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c1-14-3-8-19(15(2)13-14)27(25,26)23-11-9-16(10-12-23)20(24)22-18-6-4-17(21)5-7-18/h3-8,13,16H,9-12H2,1-2H3,(H,22,24).
What are the key properties of N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 451.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26913868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).