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

C16H14Cl2N2O3S — CID 8841870

IUPAC2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCCN1c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H14Cl2N2O3S/c17-13-6-2-7-14(16(13)18)24(22,23)19-11-4-1-5-12(10-11)20-9-3-8-15(20)21/h1-2,4-7,10,19H,3,8-9H2
InChIKeyFNTKJIYYAZARLZ-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.92
Rot. Bonds4

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

2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 8841870) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID8841870
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC Name2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCCN1c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H14Cl2N2O3S/c17-13-6-2-7-14(16(13)18)24(22,23)19-11-4-1-5-12(10-11)20-9-3-8-15(20)21/h1-2,4-7,10,19H,3,8-9H2
InChIKeyFNTKJIYYAZARLZ-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 8841870) is 2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is O=C1CCCN1c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is FNTKJIYYAZARLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c17-13-6-2-7-14(16(13)18)24(22,23)19-11-4-1-5-12(10-11)20-9-3-8-15(20)21/h1-2,4-7,10,19H,3,8-9H2.
What are the key properties of 2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 385.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8841870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).