N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

C14H10N2O4S2 — CID 136884250

IUPACN-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESO=C1NC(=NS(=O)(=O)c2ccccc2)S/C1=C/c1ccco1
InChIInChI=1S/C14H10N2O4S2/c17-13-12(9-10-5-4-8-20-10)21-14(15-13)16-22(18,19)11-6-2-1-3-7-11/h1-9H,(H,15,16,17)/b12-9+
InChIKeyTZJJIVFOMJBVAR-FMIVXFBMSA-N
MW334.38 g/mol
LogP2.23
Rot. Bonds3

About N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (PubChem CID 136884250) has the molecular formula C14H10N2O4S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
PubChem CID136884250
Molecular FormulaC14H10N2O4S2
Molecular Weight334.38 g/mol
Exact Mass334.01
IUPAC NameN-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESO=C1NC(=NS(=O)(=O)c2ccccc2)S/C1=C/c1ccco1
InChIInChI=1S/C14H10N2O4S2/c17-13-12(9-10-5-4-8-20-10)21-14(15-13)16-22(18,19)11-6-2-1-3-7-11/h1-9H,(H,15,16,17)/b12-9+
InChIKeyTZJJIVFOMJBVAR-FMIVXFBMSA-N
XLogP2.23
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135718425
(5Z)-5-(furan-2-ylmethylidene)-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one
CID 137004547
(5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 137165846
N-(5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 135408126
N-[4-oxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135440758
(NZ)-N-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135521408
(NE)-N-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135602906
N-[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135447187
3-[[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135935100
N-[(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135954523
(2S)-2-cyclohexyl-2-[[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid
CID 135748434
2-[[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
CID 135935059

Frequently Asked Questions

What is the IUPAC name of N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (CID 136884250) is N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is O=C1NC(=NS(=O)(=O)c2ccccc2)S/C1=C/c1ccco1.
What is the InChIKey of N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is TZJJIVFOMJBVAR-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H10N2O4S2/c17-13-12(9-10-5-4-8-20-10)21-14(15-13)16-22(18,19)11-6-2-1-3-7-11/h1-9H,(H,15,16,17)/b12-9+.
What are the key properties of N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 334.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 136884250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).