2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide

C10H10ClN3O4S2 — CID 61216557

IUPAC2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide
SMILESO=C1CSC(=O)N1CCNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H10ClN3O4S2/c11-8-5-7(1-2-12-8)20(17,18)13-3-4-14-9(15)6-19-10(14)16/h1-2,5,13H,3-4,6H2
InChIKeyCNXZTRLLNYPTCX-UHFFFAOYSA-N
MW335.79 g/mol
LogP0.71
Rot. Bonds5

About 2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide

2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide (PubChem CID 61216557) has the molecular formula C10H10ClN3O4S2 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide
PubChem CID61216557
Molecular FormulaC10H10ClN3O4S2
Molecular Weight335.79 g/mol
Exact Mass334.98
IUPAC Name2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide
SMILESO=C1CSC(=O)N1CCNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H10ClN3O4S2/c11-8-5-7(1-2-12-8)20(17,18)13-3-4-14-9(15)6-19-10(14)16/h1-2,5,13H,3-4,6H2
InChIKeyCNXZTRLLNYPTCX-UHFFFAOYSA-N
XLogP0.71
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
CID 61249244
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 114139001
2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
CID 54896019
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970
2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide
CID 62615784
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 63318006
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985
2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide
CID 61247710

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide (CID 61216557) is 2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide is O=C1CSC(=O)N1CCNS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide?
The InChIKey is CNXZTRLLNYPTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4S2/c11-8-5-7(1-2-12-8)20(17,18)13-3-4-14-9(15)6-19-10(14)16/h1-2,5,13H,3-4,6H2.
What are the key properties of 2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide?
2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide has a molecular weight of 335.79 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide is sourced from PubChem (CID 61216557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).