1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide

C23H29Cl2N3O3S — CID 38096715

IUPAC1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C23H29Cl2N3O3S/c1-3-28(4-2)32(30,31)19-10-8-18(9-11-19)26-23(29)17-12-14-27(15-13-17)16-20-21(24)6-5-7-22(20)25/h5-11,17H,3-4,12-16H2,1-2H3,(H,26,29)
InChIKeyFURSQWLZCOQEEN-UHFFFAOYSA-N
MW498.48 g/mol
LogP4.87
Rot. Bonds8

About 1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide

1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 38096715) has the molecular formula C23H29Cl2N3O3S and a molecular weight of 498.48 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID38096715
Molecular FormulaC23H29Cl2N3O3S
Molecular Weight498.48 g/mol
Exact Mass497.13
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C23H29Cl2N3O3S/c1-3-28(4-2)32(30,31)19-10-8-18(9-11-19)26-23(29)17-12-14-27(15-13-17)16-20-21(24)6-5-7-22(20)25/h5-11,17H,3-4,12-16H2,1-2H3,(H,26,29)
InChIKeyFURSQWLZCOQEEN-UHFFFAOYSA-N
XLogP4.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 38096708
N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152471
N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide
CID 6734872
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315
2-(2,6-dichlorophenyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 7760312
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 45009865
N-[4-(diethylsulfamoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100655190
1-(2-chlorobenzoyl)-N-[4-(dipropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223467
1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45021735
N-(1,3-benzodioxol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921459
1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223474
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925169

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 38096715) is 1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is FURSQWLZCOQEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O3S/c1-3-28(4-2)32(30,31)19-10-8-18(9-11-19)26-23(29)17-12-14-27(15-13-17)16-20-21(24)6-5-7-22(20)25/h5-11,17H,3-4,12-16H2,1-2H3,(H,26,29).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 498.48 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 38096715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).