3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

C13H16Cl2N2O3S — CID 3386950

IUPAC3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3S/c14-11-5-4-10(9-12(11)15)21(19,20)16-6-2-8-17-7-1-3-13(17)18/h4-5,9,16H,1-3,6-8H2
InChIKeyNXNQDGVCJFRDSF-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.28
Rot. Bonds6

About 3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 3386950) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID3386950
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3S/c14-11-5-4-10(9-12(11)15)21(19,20)16-6-2-8-17-7-1-3-13(17)18/h4-5,9,16H,1-3,6-8H2
InChIKeyNXNQDGVCJFRDSF-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 3386950) is 3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is NXNQDGVCJFRDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c14-11-5-4-10(9-12(11)15)21(19,20)16-6-2-8-17-7-1-3-13(17)18/h4-5,9,16H,1-3,6-8H2.
What are the key properties of 3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 351.26 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 3386950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).