1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide

C5H8F2N2O3S — CID 130714969

IUPAC1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide
SMILESO=C1CC(NS(=O)(=O)C(F)F)CN1
InChIInChI=1S/C5H8F2N2O3S/c6-5(7)13(11,12)9-3-1-4(10)8-2-3/h3,5,9H,1-2H2,(H,8,10)
InChIKeyCIBZCGBPVSIQSZ-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.98
Rot. Bonds3

About 1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide

1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide (PubChem CID 130714969) has the molecular formula C5H8F2N2O3S and a molecular weight of 214.19 g/mol. Its IUPAC name is 1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide
PubChem CID130714969
Molecular FormulaC5H8F2N2O3S
Molecular Weight214.19 g/mol
Exact Mass214.02
IUPAC Name1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide
SMILESO=C1CC(NS(=O)(=O)C(F)F)CN1
InChIInChI=1S/C5H8F2N2O3S/c6-5(7)13(11,12)9-3-1-4(10)8-2-3/h3,5,9H,1-2H2,(H,8,10)
InChIKeyCIBZCGBPVSIQSZ-UHFFFAOYSA-N
XLogP-0.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide
CID 45200775
N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227453
2-[Difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide
CID 60805356
N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63864530
4-[(2-Methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 84597123
(4R)-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97611370
(4S)-4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97611371
2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 107168203
1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
CID 117063799
N-(3-amino-2,2-difluoropropyl)-2-(methanesulfonamido)propanamide
CID 120410874
2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide
CID 131015407
N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 136526294

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide (CID 130714969) is 1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide is O=C1CC(NS(=O)(=O)C(F)F)CN1.
What is the InChIKey of 1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide?
The InChIKey is CIBZCGBPVSIQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O3S/c6-5(7)13(11,12)9-3-1-4(10)8-2-3/h3,5,9H,1-2H2,(H,8,10).
What are the key properties of 1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide?
1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide has a molecular weight of 214.19 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 130714969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).