N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide

C15H22F2N4O2S — CID 120727815

IUPACN'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCNS(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H22F2N4O2S/c1-11-4-8-21(9-5-11)15(18)19-6-7-20-24(22,23)14-3-2-12(16)10-13(14)17/h2-3,10-11,20H,4-9H2,1H3,(H2,18,19)
InChIKeyULNFOYMJWRFFOX-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.29
Rot. Bonds5

About N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 120727815) has the molecular formula C15H22F2N4O2S and a molecular weight of 360.43 g/mol. Its IUPAC name is N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID120727815
Molecular FormulaC15H22F2N4O2S
Molecular Weight360.43 g/mol
Exact Mass360.14
IUPAC NameN'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCNS(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H22F2N4O2S/c1-11-4-8-21(9-5-11)15(18)19-6-7-20-24(22,23)14-3-2-12(16)10-13(14)17/h2-3,10-11,20H,4-9H2,1H3,(H2,18,19)
InChIKeyULNFOYMJWRFFOX-UHFFFAOYSA-N
XLogP1.29
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide (CID 120727815) is N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCNS(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is ULNFOYMJWRFFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2S/c1-11-4-8-21(9-5-11)15(18)19-6-7-20-24(22,23)14-3-2-12(16)10-13(14)17/h2-3,10-11,20H,4-9H2,1H3,(H2,18,19).
What are the key properties of N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 360.43 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 120727815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).