1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide

C14H18Cl3N3O3S — CID 43905928

IUPAC1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C14H18Cl3N3O3S/c1-19(2)24(22,23)20-5-3-4-9(8-20)14(21)18-13-7-11(16)10(15)6-12(13)17/h6-7,9H,3-5,8H2,1-2H3,(H,18,21)
InChIKeyWNXSDMQJWWXYQB-UHFFFAOYSA-N
MW414.74 g/mol
LogP3.10
Rot. Bonds4

About 1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide

1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide (PubChem CID 43905928) has the molecular formula C14H18Cl3N3O3S and a molecular weight of 414.74 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
PubChem CID43905928
Molecular FormulaC14H18Cl3N3O3S
Molecular Weight414.74 g/mol
Exact Mass413.01
IUPAC Name1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C14H18Cl3N3O3S/c1-19(2)24(22,23)20-5-3-4-9(8-20)14(21)18-13-7-11(16)10(15)6-12(13)17/h6-7,9H,3-5,8H2,1-2H3,(H,18,21)
InChIKeyWNXSDMQJWWXYQB-UHFFFAOYSA-N
XLogP3.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92676559
N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43905127
(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 126391105
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43876123
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92671735
(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681982
(3R)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681981
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
(3R)-1-(dimethylsulfamoyl)-N-methylpiperidine-3-carboxamide
CID 94012254
N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 53283870

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide (CID 43905928) is 1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
The InChIKey is WNXSDMQJWWXYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3N3O3S/c1-19(2)24(22,23)20-5-3-4-9(8-20)14(21)18-13-7-11(16)10(15)6-12(13)17/h6-7,9H,3-5,8H2,1-2H3,(H,18,21).
What are the key properties of 1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide has a molecular weight of 414.74 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43905928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).