N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

C14H18F2N2O4S — CID 51320655

IUPACN-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2OC(F)F)CC1
InChIInChI=1S/C14H18F2N2O4S/c1-23(20,21)18-8-6-10(7-9-18)13(19)17-11-4-2-3-5-12(11)22-14(15)16/h2-5,10,14H,6-9H2,1H3,(H,17,19)
InChIKeyGIESWXJHRQMONQ-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.90
Rot. Bonds5

About N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 51320655) has the molecular formula C14H18F2N2O4S and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID51320655
Molecular FormulaC14H18F2N2O4S
Molecular Weight348.37 g/mol
Exact Mass348.10
IUPAC NameN-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2OC(F)F)CC1
InChIInChI=1S/C14H18F2N2O4S/c1-23(20,21)18-8-6-10(7-9-18)13(19)17-11-4-2-3-5-12(11)22-14(15)16/h2-5,10,14H,6-9H2,1H3,(H,17,19)
InChIKeyGIESWXJHRQMONQ-UHFFFAOYSA-N
XLogP1.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30875404
1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 39498100
1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43040978
1-methylsulfonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide
CID 24603608
1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 90513254
1-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031385
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007558
1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443697
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45374342

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 51320655) is N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2OC(F)F)CC1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is GIESWXJHRQMONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O4S/c1-23(20,21)18-8-6-10(7-9-18)13(19)17-11-4-2-3-5-12(11)22-14(15)16/h2-5,10,14H,6-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 51320655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).