N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide

C15H20F2N2O3S — CID 86920986

IUPACN-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1S(C)(=O)=O)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O3S/c1-10(12-7-6-11(16)9-13(12)17)18-15(20)14-5-3-4-8-19(14)23(2,21)22/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyXSOPDSVJXKVJHP-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.96
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide

N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 86920986) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID86920986
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1S(C)(=O)=O)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O3S/c1-10(12-7-6-11(16)9-13(12)17)18-15(20)14-5-3-4-8-19(14)23(2,21)22/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyXSOPDSVJXKVJHP-UHFFFAOYSA-N
XLogP1.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 86920986) is N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide is CC(NC(=O)C1CCCCN1S(C)(=O)=O)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is XSOPDSVJXKVJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c1-10(12-7-6-11(16)9-13(12)17)18-15(20)14-5-3-4-8-19(14)23(2,21)22/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 86920986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).