4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide

C12H22F2N2O3S — CID 139017735

IUPAC4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
SMILESCC(CC(F)F)CS(=O)(=O)NC1CCN(C(C)C)C1=O
InChIInChI=1S/C12H22F2N2O3S/c1-8(2)16-5-4-10(12(16)17)15-20(18,19)7-9(3)6-11(13)14/h8-11,15H,4-7H2,1-3H3
InChIKeyIIRJTLGBWVBPPQ-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.21
Rot. Bonds7

About 4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide

4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide (PubChem CID 139017735) has the molecular formula C12H22F2N2O3S and a molecular weight of 312.38 g/mol. Its IUPAC name is 4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
PubChem CID139017735
Molecular FormulaC12H22F2N2O3S
Molecular Weight312.38 g/mol
Exact Mass312.13
IUPAC Name4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
SMILESCC(CC(F)F)CS(=O)(=O)NC1CCN(C(C)C)C1=O
InChIInChI=1S/C12H22F2N2O3S/c1-8(2)16-5-4-10(12(16)17)15-20(18,19)7-9(3)6-11(13)14/h8-11,15H,4-7H2,1-3H3
InChIKeyIIRJTLGBWVBPPQ-UHFFFAOYSA-N
XLogP1.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide?
The IUPAC name of 4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide (CID 139017735) is 4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide is CC(CC(F)F)CS(=O)(=O)NC1CCN(C(C)C)C1=O.
What is the InChIKey of 4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide?
The InChIKey is IIRJTLGBWVBPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O3S/c1-8(2)16-5-4-10(12(16)17)15-20(18,19)7-9(3)6-11(13)14/h8-11,15H,4-7H2,1-3H3.
What are the key properties of 4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide?
4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide has a molecular weight of 312.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 139017735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).