3-fluoro-4-methoxypyrrolidine-1-sulfonamide

C5H11FN2O3S — CID 167526416

IUPAC3-fluoro-4-methoxypyrrolidine-1-sulfonamide
SMILESCOC1CN(S(N)(=O)=O)CC1F
InChIInChI=1S/C5H11FN2O3S/c1-11-5-3-8(2-4(5)6)12(7,9)10/h4-5H,2-3H2,1H3,(H2,7,9,10)
InChIKeyYXNPQYMXRFRVDZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP-1.14
Rot. Bonds2

About 3-fluoro-4-methoxypyrrolidine-1-sulfonamide

3-fluoro-4-methoxypyrrolidine-1-sulfonamide (PubChem CID 167526416) has the molecular formula C5H11FN2O3S and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-fluoro-4-methoxypyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxypyrrolidine-1-sulfonamide
PubChem CID167526416
Molecular FormulaC5H11FN2O3S
Molecular Weight198.22 g/mol
Exact Mass198.05
IUPAC Name3-fluoro-4-methoxypyrrolidine-1-sulfonamide
SMILESCOC1CN(S(N)(=O)=O)CC1F
InChIInChI=1S/C5H11FN2O3S/c1-11-5-3-8(2-4(5)6)12(7,9)10/h4-5H,2-3H2,1H3,(H2,7,9,10)
InChIKeyYXNPQYMXRFRVDZ-UHFFFAOYSA-N
XLogP-1.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-methoxypyrrolidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methoxypyrrolidine-1-sulfonyl chloride
CID 103532002
3-(Difluoromethoxy)pyrrolidine-1-sulfonamide
CID 130675401
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-(Difluoromethoxy)pyrrolidine-1-sulfonyl chloride
CID 175428884
(3S)-3-(difluoromethoxy)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121537739
3-Methoxypyrrolidine-1-sulfonyl fluoride
CID 135564416
Rel-(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
CID 172908008

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxypyrrolidine-1-sulfonamide?
The IUPAC name of 3-fluoro-4-methoxypyrrolidine-1-sulfonamide (CID 167526416) is 3-fluoro-4-methoxypyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxypyrrolidine-1-sulfonamide?
The canonical SMILES for 3-fluoro-4-methoxypyrrolidine-1-sulfonamide is COC1CN(S(N)(=O)=O)CC1F.
What is the InChIKey of 3-fluoro-4-methoxypyrrolidine-1-sulfonamide?
The InChIKey is YXNPQYMXRFRVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2O3S/c1-11-5-3-8(2-4(5)6)12(7,9)10/h4-5H,2-3H2,1H3,(H2,7,9,10).
What are the key properties of 3-fluoro-4-methoxypyrrolidine-1-sulfonamide?
3-fluoro-4-methoxypyrrolidine-1-sulfonamide has a molecular weight of 198.22 g/mol, XLogP of -1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxypyrrolidine-1-sulfonamide is sourced from PubChem (CID 167526416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).