N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide

C13H20FNO4S — CID 13227910

IUPACN-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide
SMILESCCOC(CN(c1ccccc1F)S(C)(=O)=O)OCC
InChIInChI=1S/C13H20FNO4S/c1-4-18-13(19-5-2)10-15(20(3,16)17)12-9-7-6-8-11(12)14/h6-9,13H,4-5,10H2,1-3H3
InChIKeyABDYAYLETDTZQU-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.99
Rot. Bonds8

About N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide

N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide (PubChem CID 13227910) has the molecular formula C13H20FNO4S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide
PubChem CID13227910
Molecular FormulaC13H20FNO4S
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC NameN-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide
SMILESCCOC(CN(c1ccccc1F)S(C)(=O)=O)OCC
InChIInChI=1S/C13H20FNO4S/c1-4-18-13(19-5-2)10-15(20(3,16)17)12-9-7-6-8-11(12)14/h6-9,13H,4-5,10H2,1-3H3
InChIKeyABDYAYLETDTZQU-UHFFFAOYSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide (CID 13227910) is N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide is CCOC(CN(c1ccccc1F)S(C)(=O)=O)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide?
The InChIKey is ABDYAYLETDTZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO4S/c1-4-18-13(19-5-2)10-15(20(3,16)17)12-9-7-6-8-11(12)14/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide?
N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 13227910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).