N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide

C11H12N2O3S2 — CID 2341102

IUPACN-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESCCN1C(=O)CSC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12N2O3S2/c1-2-13-10(14)8-17-11(13)12-18(15,16)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyPULDEHLJSHENHN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.33
Rot. Bonds3

About N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide

N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide (PubChem CID 2341102) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
PubChem CID2341102
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC NameN-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESCCN1C(=O)CSC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12N2O3S2/c1-2-13-10(14)8-17-11(13)12-18(15,16)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyPULDEHLJSHENHN-UHFFFAOYSA-N
XLogP1.33
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-5-methyl-3-(phenylsulfonyl)-2-(prop-2-en-1-ylimino)-1,3-thiazolidin-4-one
CID 2998776
3-[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
CID 9087029
(2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile
CID 1832447
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
2-Pyrrolidinone, 5-(ethylthio)-1-(phenylsulfonyl)-
CID 3078171
2-Pyrrolidinone, 5-(1-(methylethyl)thio)-1-(phenylsulfonyl)-
CID 3078172
2-[(Z)-Allylimino]-3-benzenesulfonyl-thiazolidin-4-one
CID 653159
3-methyl-6-[(phenylsulfonyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
CID 667001
N-[(2Z)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 6516792
4-chloro-N-[(2Z)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6505534
4-chloro-N-[(2Z)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6507306

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The IUPAC name of N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide (CID 2341102) is N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide is CCN1C(=O)CSC1=NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The InChIKey is PULDEHLJSHENHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-2-13-10(14)8-17-11(13)12-18(15,16)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide has a molecular weight of 284.36 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 2341102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).