2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide

C14H19F2NO3S — CID 10018849

IUPAC2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)CC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO3S/c1-9(2)17(10(3)4)21(19,20)8-14(18)12-6-5-11(15)7-13(12)16/h5-7,9-10H,8H2,1-4H3
InChIKeyZOJSTVOQTALNEX-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.60
Rot. Bonds6

About 2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide

2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide (PubChem CID 10018849) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide
PubChem CID10018849
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)CC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO3S/c1-9(2)17(10(3)4)21(19,20)8-14(18)12-6-5-11(15)7-13(12)16/h5-7,9-10H,8H2,1-4H3
InChIKeyZOJSTVOQTALNEX-UHFFFAOYSA-N
XLogP2.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide?
The IUPAC name of 2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide (CID 10018849) is 2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide is CC(C)N(C(C)C)S(=O)(=O)CC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide?
The InChIKey is ZOJSTVOQTALNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c1-9(2)17(10(3)4)21(19,20)8-14(18)12-6-5-11(15)7-13(12)16/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide?
2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide has a molecular weight of 319.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-oxo-N,N-di(propan-2-yl)ethanesulfonamide is sourced from PubChem (CID 10018849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).