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

C20H21Cl2FN2O3S — CID 53283175

IUPAC1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H21Cl2FN2O3S/c21-17-6-5-16(18(22)11-17)13-29(27,28)25-9-7-14(8-10-25)20(26)24-12-15-3-1-2-4-19(15)23/h1-6,11,14H,7-10,12-13H2,(H,24,26)
InChIKeyQBUDWSRZYPNDRU-UHFFFAOYSA-N
MW459.37 g/mol
LogP3.99
Rot. Bonds6

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

1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 53283175) has the molecular formula C20H21Cl2FN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID53283175
Molecular FormulaC20H21Cl2FN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.06
IUPAC Name1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H21Cl2FN2O3S/c21-17-6-5-16(18(22)11-17)13-29(27,28)25-9-7-14(8-10-25)20(26)24-12-15-3-1-2-4-19(15)23/h1-6,11,14H,7-10,12-13H2,(H,24,26)
InChIKeyQBUDWSRZYPNDRU-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53284036
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 53283326
1-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 28571919
N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642621
N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 44591952
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 92673376
N-(2,3-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642622
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004210
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53282836
1-[(2-chlorophenyl)methylsulfonyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 99958010
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 30386446
N-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (CID 53283175) is 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QBUDWSRZYPNDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN2O3S/c21-17-6-5-16(18(22)11-17)13-29(27,28)25-9-7-14(8-10-25)20(26)24-12-15-3-1-2-4-19(15)23/h1-6,11,14H,7-10,12-13H2,(H,24,26).
What are the key properties of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 459.37 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53283175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).