N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide

C16H23FN2O3S — CID 652036

IUPACN-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O3S/c1-16(2,3)15(20)18-12-8-10-19(11-9-12)23(21,22)14-7-5-4-6-13(14)17/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChIKeyCFDVKIMEJFXNTN-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.14
Rot. Bonds3

About N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide

N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 652036) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID652036
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O3S/c1-16(2,3)15(20)18-12-8-10-19(11-9-12)23(21,22)14-7-5-4-6-13(14)17/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChIKeyCFDVKIMEJFXNTN-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N~1~-cyclopentyl-N~2~-(phenylsulfonyl)alaninamide
CID 2957593
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
N-cyclopentyl-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2985558
3-(benzenesulfonamido)-N-(4-methylcyclohexyl)propanamide
CID 24687507
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
2,2-Dimethyl-N-[1-(3-trifluoromethyl-benzenesulfonyl)-piperidin-4-yl]-propionamide
CID 646229
N-[9-(3-Fluoro-benzenesulfonyl)-9-aza-bicyclo[3.3.1]non-3-yl]-acetamide
CID 652733
N-(9-Benzenesulfonyl-9-aza-bicyclo[3.3.1]non-3-yl)-acetamide
CID 656292
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 799512
N-cycloheptyl-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 1327626
N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 2059107

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide (CID 652036) is N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is CFDVKIMEJFXNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-16(2,3)15(20)18-12-8-10-19(11-9-12)23(21,22)14-7-5-4-6-13(14)17/h4-7,12H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 652036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).