N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

C19H19Cl2FN2O3S — CID 92642621

IUPACN-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C19H19Cl2FN2O3S/c20-16-6-5-15(11-17(16)21)23-19(25)13-7-9-24(10-8-13)28(26,27)12-14-3-1-2-4-18(14)22/h1-6,11,13H,7-10,12H2,(H,23,25)
InChIKeyIPHZQYICNHAYLF-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.31
Rot. Bonds5

About N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 92642621) has the molecular formula C19H19Cl2FN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID92642621
Molecular FormulaC19H19Cl2FN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.05
IUPAC NameN-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C19H19Cl2FN2O3S/c20-16-6-5-15(11-17(16)21)23-19(25)13-7-9-24(10-8-13)28(26,27)12-14-3-1-2-4-18(14)22/h1-6,11,13H,7-10,12H2,(H,23,25)
InChIKeyIPHZQYICNHAYLF-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642430
1-[(2-chlorophenyl)methylsulfonyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 92642504
N-(2,3-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642622
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 92642670
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 92642656
N-(4-carbamoylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265573
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53283175
N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 28577038
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 92642655
N-(3-chloro-4-methylphenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642585
1-[(2-fluorophenyl)methylsulfonyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53283463
ethyl 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 92683990

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide (CID 92642621) is N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is IPHZQYICNHAYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O3S/c20-16-6-5-15(11-17(16)21)23-19(25)13-7-9-24(10-8-13)28(26,27)12-14-3-1-2-4-18(14)22/h1-6,11,13H,7-10,12H2,(H,23,25).
What are the key properties of N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide?
N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 445.34 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 92642621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).