N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

C13H16N2O4S2 — CID 2133650

IUPACN-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCOCCCN1C(=O)CSC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H16N2O4S2/c1-19-9-5-8-15-12(16)10-20-13(15)14-21(17,18)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKeyKPSDFOOOASWWIW-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.34
Rot. Bonds6

About N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (PubChem CID 2133650) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
PubChem CID2133650
Molecular FormulaC13H16N2O4S2
Molecular Weight328.41 g/mol
Exact Mass328.06
IUPAC NameN-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCOCCCN1C(=O)CSC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H16N2O4S2/c1-19-9-5-8-15-12(16)10-20-13(15)14-21(17,18)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKeyKPSDFOOOASWWIW-UHFFFAOYSA-N
XLogP1.34
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2Z)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 9660718
N-[(2Z)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 9660877
N-[(2Z)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 6516792
N-[(2E,5E)-5-[(Dimethylamino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6323881
[(E)-(E)-5-(dimethylamino)methylene-3-ethyl-4-oxo-1,3-thiazolidin-2-ylideneamino](oxo)(phenyl)-lambda-sulfaniumolate
CID 2133645
[(E)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylideneamino]-p-fluorophenyl(oxo)-lambda-sulfaniumolate
CID 3918664
(NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 6507304
(E)-N-(3-cyclohexyl-4-oxothiazolidin-2-ylidene)benzenesulfonamide
CID 5640470
N-[(2Z)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 9619044
N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 2133646
N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 2341102
CID 3683002
CID 3683002

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (CID 2133650) is N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is COCCCN1C(=O)CSC1=NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is KPSDFOOOASWWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c1-19-9-5-8-15-12(16)10-20-13(15)14-21(17,18)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 328.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 2133650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).