N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

C20H23FN2O3S — CID 27665709

IUPACN-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O3S/c1-22(15-16-7-3-2-4-8-16)20(24)17-11-13-23(14-12-17)27(25,26)19-10-6-5-9-18(19)21/h2-10,17H,11-15H2,1H3
InChIKeyWKMUZHPOAPILSV-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.88
Rot. Bonds5

About N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 27665709) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID27665709
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O3S/c1-22(15-16-7-3-2-4-8-16)20(24)17-11-13-23(14-12-17)27(25,26)19-10-6-5-9-18(19)21/h2-10,17H,11-15H2,1H3
InChIKeyWKMUZHPOAPILSV-UHFFFAOYSA-N
XLogP2.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78770763
N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004165
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 17493112
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292191
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55580678
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27670600
1-(2-cyanophenyl)sulfonyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 27861422
N-benzyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide
CID 2471437
N-benzyl-1-(5-bromothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 112760133

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 27665709) is N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is WKMUZHPOAPILSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-22(15-16-7-3-2-4-8-16)20(24)17-11-13-23(14-12-17)27(25,26)19-10-6-5-9-18(19)21/h2-10,17H,11-15H2,1H3.
What are the key properties of N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 27665709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).