2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide

C10H9Cl2NO3S2 — CID 5177491

IUPAC2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide
SMILESO=C1SCCC1NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO3S2/c11-6-1-2-9(7(12)5-6)18(15,16)13-8-3-4-17-10(8)14/h1-2,5,8,13H,3-4H2
InChIKeyQMNPOYJZRAGNME-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.30
Rot. Bonds3

About 2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide

2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide (PubChem CID 5177491) has the molecular formula C10H9Cl2NO3S2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide
PubChem CID5177491
Molecular FormulaC10H9Cl2NO3S2
Molecular Weight326.23 g/mol
Exact Mass324.94
IUPAC Name2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide
SMILESO=C1SCCC1NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO3S2/c11-6-1-2-9(7(12)5-6)18(15,16)13-8-3-4-17-10(8)14/h1-2,5,8,13H,3-4H2
InChIKeyQMNPOYJZRAGNME-UHFFFAOYSA-N
XLogP2.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide (CID 5177491) is 2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide is O=C1SCCC1NS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide?
The InChIKey is QMNPOYJZRAGNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3S2/c11-6-1-2-9(7(12)5-6)18(15,16)13-8-3-4-17-10(8)14/h1-2,5,8,13H,3-4H2.
What are the key properties of 2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide?
2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide has a molecular weight of 326.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 5177491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).