1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide

C15H18Cl3N3O4S — CID 1251616

IUPAC1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H18Cl3N3O4S/c1-26(24,25)21(13-7-11(17)10(16)6-12(13)18)8-14(22)20-4-2-9(3-5-20)15(19)23/h6-7,9H,2-5,8H2,1H3,(H2,19,23)
InChIKeyXEODAHVUEAAWMN-UHFFFAOYSA-N
MW442.75 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide

1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide (PubChem CID 1251616) has the molecular formula C15H18Cl3N3O4S and a molecular weight of 442.75 g/mol. Its IUPAC name is 1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
PubChem CID1251616
Molecular FormulaC15H18Cl3N3O4S
Molecular Weight442.75 g/mol
Exact Mass441.01
IUPAC Name1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H18Cl3N3O4S/c1-26(24,25)21(13-7-11(17)10(16)6-12(13)18)8-14(22)20-4-2-9(3-5-20)15(19)23/h6-7,9H,2-5,8H2,1H3,(H2,19,23)
InChIKeyXEODAHVUEAAWMN-UHFFFAOYSA-N
XLogP2.14
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.75
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide
CID 1260940
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
CID 126035425
1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 2928967
ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 126032460
1-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]piperidine-4-carboxamide
CID 92684224
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1160808
N-(3-chloro-2-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846774
N-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 765932
1-[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]piperidine-4-carboxamide
CID 126031541
N-(5-chloro-2-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1145387
ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076442

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide (CID 1251616) is 1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide is CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide?
The InChIKey is XEODAHVUEAAWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl3N3O4S/c1-26(24,25)21(13-7-11(17)10(16)6-12(13)18)8-14(22)20-4-2-9(3-5-20)15(19)23/h6-7,9H,2-5,8H2,1H3,(H2,19,23).
What are the key properties of 1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide?
1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide has a molecular weight of 442.75 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 1251616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).