N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide

C14H17Cl3N2O3S — CID 1260940

IUPACN-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl3N2O3S/c1-23(21,22)19(9-14(20)18-5-3-2-4-6-18)13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3
InChIKeyMKQYBHODTYEILW-UHFFFAOYSA-N
MW399.73 g/mol
LogP3.43
Rot. Bonds4

About N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide

N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide (PubChem CID 1260940) has the molecular formula C14H17Cl3N2O3S and a molecular weight of 399.73 g/mol. Its IUPAC name is N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide
PubChem CID1260940
Molecular FormulaC14H17Cl3N2O3S
Molecular Weight399.73 g/mol
Exact Mass398.00
IUPAC NameN-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl3N2O3S/c1-23(21,22)19(9-14(20)18-5-3-2-4-6-18)13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3
InChIKeyMKQYBHODTYEILW-UHFFFAOYSA-N
XLogP3.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.73
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 1251616
N-(3-chloro-2-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846774
N-(3-chloro-4-fluorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 967280
N-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 765932
N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846617
N-(4-piperidin-1-ylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 100511260
N-cycloheptyl-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249582
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156552
N-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 1097974
N-[4-(diethylamino)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156219
N-(3,4-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 764239
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[4-(diethylamino)phenyl]methanesulfonamide
CID 113156241

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide?
The IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide (CID 1260940) is N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCC1)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide?
The InChIKey is MKQYBHODTYEILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O3S/c1-23(21,22)19(9-14(20)18-5-3-2-4-6-18)13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3.
What are the key properties of N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide?
N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide has a molecular weight of 399.73 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide is sourced from PubChem (CID 1260940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).