2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C13H16Cl2N2O3S — CID 4787827

IUPAC2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCCC1
InChIInChI=1S/C13H16Cl2N2O3S/c14-10-4-3-5-11(15)13(10)21(19,20)16-7-6-12(18)17-8-1-2-9-17/h3-5,16H,1-2,6-9H2
InChIKeyWDHZDUMSAKJJIZ-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.28
Rot. Bonds5

About 2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 4787827) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID4787827
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCCC1
InChIInChI=1S/C13H16Cl2N2O3S/c14-10-4-3-5-11(15)13(10)21(19,20)16-7-6-12(18)17-8-1-2-9-17/h3-5,16H,1-2,6-9H2
InChIKeyWDHZDUMSAKJJIZ-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 4787827) is 2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCCC1.
What is the InChIKey of 2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is WDHZDUMSAKJJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c14-10-4-3-5-11(15)13(10)21(19,20)16-7-6-12(18)17-8-1-2-9-17/h3-5,16H,1-2,6-9H2.
What are the key properties of 2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 351.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 4787827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).