4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide

C17H11N3O5S2 — CID 118089440

IUPAC4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1
InChIInChI=1S/C17H11N3O5S2/c18-27(23,24)12-3-1-9(2-4-12)13-8-19-7-10-5-11(25-15(10)13)6-14-16(21)20-17(22)26-14/h1-8H,(H2,18,23,24)(H,20,21,22)/b14-6+
InChIKeyKRXMCPXITNLPAE-MKMNVTDBSA-N
MW401.43 g/mol
LogP2.47
Rot. Bonds3

About 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide

4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide (PubChem CID 118089440) has the molecular formula C17H11N3O5S2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
PubChem CID118089440
Molecular FormulaC17H11N3O5S2
Molecular Weight401.43 g/mol
Exact Mass401.01
IUPAC Name4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1
InChIInChI=1S/C17H11N3O5S2/c18-27(23,24)12-3-1-9(2-4-12)13-8-19-7-10-5-11(25-15(10)13)6-14-16(21)20-17(22)26-14/h1-8H,(H2,18,23,24)(H,20,21,22)/b14-6+
InChIKeyKRXMCPXITNLPAE-MKMNVTDBSA-N
XLogP2.47
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

US10584116, Example 46
CID 137353676
US10584116, Example 27
CID 155295206
US10626112, Example 267
CID 122686083
N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide
CID 58975214
(5Z)-5-[[7-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089223
(5E)-5-[[7-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089226
(5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089426
(5E)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089429
(5Z)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089496
(5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089499
(5Z)-2-sulfanylidene-5-[[7-[2-[2-(trifluoromethoxy)phenyl]ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 118089536
(5E)-2-sulfanylidene-5-[[7-[2-[2-(trifluoromethoxy)phenyl]ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 118089538

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide (CID 118089440) is 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1.
What is the InChIKey of 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide?
The InChIKey is KRXMCPXITNLPAE-MKMNVTDBSA-N. The full InChI is InChI=1S/C17H11N3O5S2/c18-27(23,24)12-3-1-9(2-4-12)13-8-19-7-10-5-11(25-15(10)13)6-14-16(21)20-17(22)26-14/h1-8H,(H2,18,23,24)(H,20,21,22)/b14-6+.
What are the key properties of 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide?
4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide has a molecular weight of 401.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide is sourced from PubChem (CID 118089440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).