(3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride

C5H9ClFNO2S — CID 157345549

IUPAC(3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride
SMILESC[C@H]1CN(S(=O)(=O)Cl)C[C@@H]1F
InChIInChI=1S/C5H9ClFNO2S/c1-4-2-8(3-5(4)7)11(6,9)10/h4-5H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyBGXNOIBIQSNMBO-WHFBIAKZSA-N
MW201.65 g/mol
LogP0.76
Rot. Bonds1

About (3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride

(3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride (PubChem CID 157345549) has the molecular formula C5H9ClFNO2S and a molecular weight of 201.65 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride
PubChem CID157345549
Molecular FormulaC5H9ClFNO2S
Molecular Weight201.65 g/mol
Exact Mass201.00
IUPAC Name(3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride
SMILESC[C@H]1CN(S(=O)(=O)Cl)C[C@@H]1F
InChIInChI=1S/C5H9ClFNO2S/c1-4-2-8(3-5(4)7)11(6,9)10/h4-5H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyBGXNOIBIQSNMBO-WHFBIAKZSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylpyrrolidine-1-sulfonyl chloride
CID 61225769
3-Fluoropyrrolidine-1-sulfonyl chloride
CID 75530150
(3R)-3-Fluoropyrrolidine-1-sulfonyl chloride
CID 97960733
(S)-3-Fluoropyrrolidine-1-sulfonyl chloride
CID 97960734
2-Fluoropyrrolidine-1-sulfonyl chloride
CID 122700641
(2R)-2-fluoropyrrolidine-1-sulfonyl chloride
CID 152420246
(2S)-2-fluoropyrrolidine-1-sulfonyl chloride
CID 169027470
3-(Trifluoromethyl)pyrrolidine-1-sulfonyl chloride
CID 117588031
(S)-3-(Trifluoromethyl)pyrrolidine-1-sulfonyl chloride
CID 129321622
(3R)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride
CID 129321623
3-(Fluoromethyl)pyrrolidine-1-sulfonyl chloride
CID 165491198
3-Methylpyrrolidine-1-sulfonamide
CID 20752923

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride?
The IUPAC name of (3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride (CID 157345549) is (3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride is C[C@H]1CN(S(=O)(=O)Cl)C[C@@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride?
The InChIKey is BGXNOIBIQSNMBO-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H9ClFNO2S/c1-4-2-8(3-5(4)7)11(6,9)10/h4-5H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of (3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride?
(3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride has a molecular weight of 201.65 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 157345549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).