N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C20H22Cl2N2O3S — CID 71540830

IUPACN-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C20H22Cl2N2O3S/c1-13-3-4-19(14(2)9-13)28(26,27)24-7-5-15(6-8-24)20(25)23-18-11-16(21)10-17(22)12-18/h3-4,9-12,15H,5-8H2,1-2H3,(H,23,25)
InChIKeyBLVXKHNQAHBSEQ-UHFFFAOYSA-N
MW441.38 g/mol
LogP4.65
Rot. Bonds4

About N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 71540830) has the molecular formula C20H22Cl2N2O3S and a molecular weight of 441.38 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID71540830
Molecular FormulaC20H22Cl2N2O3S
Molecular Weight441.38 g/mol
Exact Mass440.07
IUPAC NameN-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C20H22Cl2N2O3S/c1-13-3-4-19(14(2)9-13)28(26,27)24-7-5-15(6-8-24)20(25)23-18-11-16(21)10-17(22)12-18/h3-4,9-12,15H,5-8H2,1-2H3,(H,23,25)
InChIKeyBLVXKHNQAHBSEQ-UHFFFAOYSA-N
XLogP4.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorobenzyl)-1-(mesitylsulfonyl)-4-piperidinecarboxamide
CID 1306384
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-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
N-[2-Chloro-4-(toluene-4-sulfonylamino)-phenyl]-2-piperidin-1-yl-acetamide
CID 1147316
N-(3-chlorophenyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide
CID 1216383
2-[N-(3-Chlorophenyl)4-methylbenzenesulfonamido]-N-(2,6-dimethylphenyl)acetamide
CID 1247158
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1327087
N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 2511495
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697728
N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
CID 4654716

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 71540830) is N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c(C)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is BLVXKHNQAHBSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3S/c1-13-3-4-19(14(2)9-13)28(26,27)24-7-5-15(6-8-24)20(25)23-18-11-16(21)10-17(22)12-18/h3-4,9-12,15H,5-8H2,1-2H3,(H,23,25).
What are the key properties of N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 441.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71540830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).