1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide

C19H19Cl2FN2O3S — CID 92642656

IUPAC1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C19H19Cl2FN2O3S/c20-14-3-1-4-15(11-14)23-19(25)13-7-9-24(10-8-13)28(26,27)12-16-17(21)5-2-6-18(16)22/h1-6,11,13H,7-10,12H2,(H,23,25)
InChIKeyMQJJLAXLTMQYHU-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.31
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide (PubChem CID 92642656) has the molecular formula C19H19Cl2FN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
PubChem CID92642656
Molecular FormulaC19H19Cl2FN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.05
IUPAC Name1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C19H19Cl2FN2O3S/c20-14-3-1-4-15(11-14)23-19(25)13-7-9-24(10-8-13)28(26,27)12-16-17(21)5-2-6-18(16)22/h1-6,11,13H,7-10,12H2,(H,23,25)
InChIKeyMQJJLAXLTMQYHU-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

1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 92642670
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 92642655
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43908095
N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642621
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 99940211
N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53284068
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92802496
N-(2,3-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642622
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 30380253
(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641906
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92647044
1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-4-carboxamide
CID 46762919

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide (CID 92642656) is 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
The InChIKey is MQJJLAXLTMQYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O3S/c20-14-3-1-4-15(11-14)23-19(25)13-7-9-24(10-8-13)28(26,27)12-16-17(21)5-2-6-18(16)22/h1-6,11,13H,7-10,12H2,(H,23,25).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)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 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 92642656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).