2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

C13H16ClFN2O3S — CID 47083591

IUPAC2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N1CCCC1
InChIInChI=1S/C13H16ClFN2O3S/c1-9(13(18)17-6-2-3-7-17)16-21(19,20)12-5-4-10(15)8-11(12)14/h4-5,8-9,16H,2-3,6-7H2,1H3
InChIKeyXHJVBDUWGVZHST-UHFFFAOYSA-N
MW334.80 g/mol
LogP1.77
Rot. Bonds4

About 2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 47083591) has the molecular formula C13H16ClFN2O3S and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID47083591
Molecular FormulaC13H16ClFN2O3S
Molecular Weight334.80 g/mol
Exact Mass334.06
IUPAC Name2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N1CCCC1
InChIInChI=1S/C13H16ClFN2O3S/c1-9(13(18)17-6-2-3-7-17)16-21(19,20)12-5-4-10(15)8-11(12)14/h4-5,8-9,16H,2-3,6-7H2,1H3
InChIKeyXHJVBDUWGVZHST-UHFFFAOYSA-N
XLogP1.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (CID 47083591) is 2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N1CCCC1.
What is the InChIKey of 2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is XHJVBDUWGVZHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3S/c1-9(13(18)17-6-2-3-7-17)16-21(19,20)12-5-4-10(15)8-11(12)14/h4-5,8-9,16H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 334.80 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 47083591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).