N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide

C26H24BrCl2N3O4S — CID 166353268

IUPACN-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)CC1
InChIInChI=1S/C26H24BrCl2N3O4S/c27-19-3-1-4-21(16-19)30-26(34)18-11-13-32(14-12-18)24(33)15-17-7-9-20(10-8-17)31-37(35,36)25-22(28)5-2-6-23(25)29/h1-10,16,18,31H,11-15H2,(H,30,34)
InChIKeyROIIACARPRYZRL-UHFFFAOYSA-N
MW625.37 g/mol
LogP5.98
Rot. Bonds7

About N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide

N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide (PubChem CID 166353268) has the molecular formula C26H24BrCl2N3O4S and a molecular weight of 625.37 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide
PubChem CID166353268
Molecular FormulaC26H24BrCl2N3O4S
Molecular Weight625.37 g/mol
Exact Mass623.00
IUPAC NameN-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)CC1
InChIInChI=1S/C26H24BrCl2N3O4S/c27-19-3-1-4-21(16-19)30-26(34)18-11-13-32(14-12-18)24(33)15-17-7-9-20(10-8-17)31-37(35,36)25-22(28)5-2-6-23(25)29/h1-10,16,18,31H,11-15H2,(H,30,34)
InChIKeyROIIACARPRYZRL-UHFFFAOYSA-N
XLogP5.98
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.37
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 113008999
N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31693337
N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224314
1-[2-(4-aminophenyl)acetyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 119787390
1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006490
1-[(3-bromophenyl)methylsulfonyl]-N-[4-(phenylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 99941437
methyl 3-[[1-[2-(4-methylphenyl)acetyl]piperidine-4-carbonyl]amino]benzoate
CID 113007991
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541087
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
3-[(3-bromophenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 126697825
N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide
CID 43924887

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide (CID 166353268) is N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide is O=C(Nc1cccc(Br)c1)C1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)CC1.
What is the InChIKey of N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide?
The InChIKey is ROIIACARPRYZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrCl2N3O4S/c27-19-3-1-4-21(16-19)30-26(34)18-11-13-32(14-12-18)24(33)15-17-7-9-20(10-8-17)31-37(35,36)25-22(28)5-2-6-23(25)29/h1-10,16,18,31H,11-15H2,(H,30,34).
What are the key properties of N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide?
N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide has a molecular weight of 625.37 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 166353268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).