pyrrolidine-1-sulfonyl chloride

C4H8ClNO2S — CID 6483902

IUPACpyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCCC1
InChIInChI=1S/C4H8ClNO2S/c5-9(7,8)6-3-1-2-4-6/h1-4H2
InChIKeyJRIQCVWTPGVBBH-UHFFFAOYSA-N
MW169.63 g/mol
LogP0.57
Rot. Bonds1

About pyrrolidine-1-sulfonyl chloride

pyrrolidine-1-sulfonyl chloride (PubChem CID 6483902) has the molecular formula C4H8ClNO2S and a molecular weight of 169.63 g/mol. Its IUPAC name is pyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Namepyrrolidine-1-sulfonyl chloride
PubChem CID6483902
Molecular FormulaC4H8ClNO2S
Molecular Weight169.63 g/mol
Exact Mass169.00
IUPAC Namepyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCCC1
InChIInChI=1S/C4H8ClNO2S/c5-9(7,8)6-3-1-2-4-6/h1-4H2
InChIKeyJRIQCVWTPGVBBH-UHFFFAOYSA-N
XLogP0.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.63
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolidine-1-sulfonamide
CID 15707376
Sulfur Dioxide 1-Methylpyrrolidine Adduct
CID 57446193
3-Methylpyrrolidine-1-sulfonyl chloride
CID 61225769
Sulfopyrrolidine
CID 21963976
Pyrrolidine-1-sulfonyl fluoride
CID 56965517
N-butyl-N-ethylsulfamoyl chloride
CID 16769495
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
Rel-(3R,4S)-3,4-difluoropyrrolidine-1-sulfonyl chloride
CID 165149898

Frequently Asked Questions

What is the IUPAC name of pyrrolidine-1-sulfonyl chloride?
The IUPAC name of pyrrolidine-1-sulfonyl chloride (CID 6483902) is pyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for pyrrolidine-1-sulfonyl chloride?
The canonical SMILES for pyrrolidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCCC1.
What is the InChIKey of pyrrolidine-1-sulfonyl chloride?
The InChIKey is JRIQCVWTPGVBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO2S/c5-9(7,8)6-3-1-2-4-6/h1-4H2.
What are the key properties of pyrrolidine-1-sulfonyl chloride?
pyrrolidine-1-sulfonyl chloride has a molecular weight of 169.63 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 6483902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).