2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide

C7H14F2N2O3S — CID 103515520

IUPAC2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)C(F)F)NS(C)(=O)=O
InChIInChI=1S/C7H14F2N2O3S/c1-7(2,11-15(3,13)14)4-10-6(12)5(8)9/h5,11H,4H2,1-3H3,(H,10,12)
InChIKeyBCWIUTGTPOPFTL-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.30
Rot. Bonds5

About 2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide

2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide (PubChem CID 103515520) has the molecular formula C7H14F2N2O3S and a molecular weight of 244.26 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
PubChem CID103515520
Molecular FormulaC7H14F2N2O3S
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC Name2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)C(F)F)NS(C)(=O)=O
InChIInChI=1S/C7H14F2N2O3S/c1-7(2,11-15(3,13)14)4-10-6(12)5(8)9/h5,11H,4H2,1-3H3,(H,10,12)
InChIKeyBCWIUTGTPOPFTL-UHFFFAOYSA-N
XLogP-0.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide (CID 103515520) is 2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide is CC(C)(CNC(=O)C(F)F)NS(C)(=O)=O.
What is the InChIKey of 2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide?
The InChIKey is BCWIUTGTPOPFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O3S/c1-7(2,11-15(3,13)14)4-10-6(12)5(8)9/h5,11H,4H2,1-3H3,(H,10,12).
What are the key properties of 2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide?
2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide has a molecular weight of 244.26 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide is sourced from PubChem (CID 103515520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).