3-(difluoromethoxy)pyrrolidine-1-sulfonamide

C5H10F2N2O3S — CID 130675401

IUPAC3-(difluoromethoxy)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(OC(F)F)C1
InChIInChI=1S/C5H10F2N2O3S/c6-5(7)12-4-1-2-9(3-4)13(8,10)11/h4-5H,1-3H2,(H2,8,10,11)
InChIKeyPUVVYTFWMKLWAY-UHFFFAOYSA-N
MW216.21 g/mol
LogP-0.50
Rot. Bonds3

About 3-(difluoromethoxy)pyrrolidine-1-sulfonamide

3-(difluoromethoxy)pyrrolidine-1-sulfonamide (PubChem CID 130675401) has the molecular formula C5H10F2N2O3S and a molecular weight of 216.21 g/mol. Its IUPAC name is 3-(difluoromethoxy)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethoxy)pyrrolidine-1-sulfonamide
PubChem CID130675401
Molecular FormulaC5H10F2N2O3S
Molecular Weight216.21 g/mol
Exact Mass216.04
IUPAC Name3-(difluoromethoxy)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(OC(F)F)C1
InChIInChI=1S/C5H10F2N2O3S/c6-5(7)12-4-1-2-9(3-4)13(8,10)11/h4-5H,1-3H2,(H2,8,10,11)
InChIKeyPUVVYTFWMKLWAY-UHFFFAOYSA-N
XLogP-0.50
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Rel-(3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
CID 165149901
(R)-3-(Difluoromethoxy)pyrrolidine-1-sulfonyl chloride
CID 165149945
(5R)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
CID 167048995
2-Methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide
CID 167049009
2-Methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
CID 167049011
(5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
CID 167049068
3-Fluoro-4-methoxypyrrolidine-1-sulfonamide
CID 167526416
3-(Difluoromethoxy)pyrrolidine-1-sulfonyl chloride
CID 175428884
C5H7ClF3NO3S
CID 117588063
(3S)-3-(difluoromethoxy)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121537739
(3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine
CID 130891111
Rel-(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
CID 172908008

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(difluoromethoxy)pyrrolidine-1-sulfonamide (CID 130675401) is 3-(difluoromethoxy)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(difluoromethoxy)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(difluoromethoxy)pyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)pyrrolidine-1-sulfonamide?
The InChIKey is PUVVYTFWMKLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O3S/c6-5(7)12-4-1-2-9(3-4)13(8,10)11/h4-5H,1-3H2,(H2,8,10,11).
What are the key properties of 3-(difluoromethoxy)pyrrolidine-1-sulfonamide?
3-(difluoromethoxy)pyrrolidine-1-sulfonamide has a molecular weight of 216.21 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 130675401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).