N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide

C14H19BrClN3O3S — CID 43905127

IUPACN-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)Nc2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C14H19BrClN3O3S/c1-18(2)23(21,22)19-7-3-4-10(9-19)14(20)17-11-5-6-12(15)13(16)8-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyLXBMLGFPOHMKCW-UHFFFAOYSA-N
MW424.75 g/mol
LogP2.56
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide

N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide (PubChem CID 43905127) has the molecular formula C14H19BrClN3O3S and a molecular weight of 424.75 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
PubChem CID43905127
Molecular FormulaC14H19BrClN3O3S
Molecular Weight424.75 g/mol
Exact Mass423.00
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)Nc2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C14H19BrClN3O3S/c1-18(2)23(21,22)19-7-3-4-10(9-19)14(20)17-11-5-6-12(15)13(16)8-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyLXBMLGFPOHMKCW-UHFFFAOYSA-N
XLogP2.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.75
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43876123
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
(3S)-N-(4-bromo-3-chlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92642718
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
(3S)-N-(3-bromo-4-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 146337072
1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43905928
(3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 99939714
methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
CID 94011850
1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43916583
(3S)-N-(4-bromo-3-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673036
(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92676559

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide (CID 43905127) is N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCCC(C(=O)Nc2ccc(Br)c(Cl)c2)C1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The InChIKey is LXBMLGFPOHMKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3O3S/c1-18(2)23(21,22)19-7-3-4-10(9-19)14(20)17-11-5-6-12(15)13(16)8-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,20).
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide has a molecular weight of 424.75 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide is sourced from PubChem (CID 43905127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).