N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide

C13H17FN2O3S — CID 2990495

IUPACN-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)
InChIKeyACOWABBDMPTTOB-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.44
Rot. Bonds3

About N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 2990495) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID2990495
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)
InChIKeyACOWABBDMPTTOB-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 2990495) is N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is ACOWABBDMPTTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-20(18,19)16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17).
What are the key properties of N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2990495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).