3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride

C13H15ClFNO4S — CID 82911077

IUPAC3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride
SMILESCC(Oc1ccc(S(=O)(=O)Cl)cc1F)C(=O)N1CCCC1
InChIInChI=1S/C13H15ClFNO4S/c1-9(13(17)16-6-2-3-7-16)20-12-5-4-10(8-11(12)15)21(14,18)19/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyMOEMBXKZAQZPKO-UHFFFAOYSA-N
MW335.78 g/mol
LogP2.14
Rot. Bonds4

About 3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride

3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride (PubChem CID 82911077) has the molecular formula C13H15ClFNO4S and a molecular weight of 335.78 g/mol. Its IUPAC name is 3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride
PubChem CID82911077
Molecular FormulaC13H15ClFNO4S
Molecular Weight335.78 g/mol
Exact Mass335.04
IUPAC Name3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride
SMILESCC(Oc1ccc(S(=O)(=O)Cl)cc1F)C(=O)N1CCCC1
InChIInChI=1S/C13H15ClFNO4S/c1-9(13(17)16-6-2-3-7-16)20-12-5-4-10(8-11(12)15)21(14,18)19/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyMOEMBXKZAQZPKO-UHFFFAOYSA-N
XLogP2.14
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride (CID 82911077) is 3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride is CC(Oc1ccc(S(=O)(=O)Cl)cc1F)C(=O)N1CCCC1.
What is the InChIKey of 3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride?
The InChIKey is MOEMBXKZAQZPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO4S/c1-9(13(17)16-6-2-3-7-16)20-12-5-4-10(8-11(12)15)21(14,18)19/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride?
3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride has a molecular weight of 335.78 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride is sourced from PubChem (CID 82911077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).