N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide

C15H11N3O3S3 — CID 6520001

IUPACN-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
SMILESO=C1/C(=C/c2ccccn2)SC(=S)N1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H11N3O3S3/c19-14-13(10-11-6-4-5-9-16-11)23-15(22)18(14)17-24(20,21)12-7-2-1-3-8-12/h1-10,17H/b13-10-
InChIKeyNSADENOHRVDXBR-RAXLEYEMSA-N
MW377.47 g/mol
LogP2.18
Rot. Bonds4

About N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide

N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide (PubChem CID 6520001) has the molecular formula C15H11N3O3S3 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
PubChem CID6520001
Molecular FormulaC15H11N3O3S3
Molecular Weight377.47 g/mol
Exact Mass377.00
IUPAC NameN-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
SMILESO=C1/C(=C/c2ccccn2)SC(=S)N1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H11N3O3S3/c19-14-13(10-11-6-4-5-9-16-11)23-15(22)18(14)17-24(20,21)12-7-2-1-3-8-12/h1-10,17H/b13-10-
InChIKeyNSADENOHRVDXBR-RAXLEYEMSA-N
XLogP2.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide (CID 6520001) is N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide is O=C1/C(=C/c2ccccn2)SC(=S)N1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide?
The InChIKey is NSADENOHRVDXBR-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H11N3O3S3/c19-14-13(10-11-6-4-5-9-16-11)23-15(22)18(14)17-24(20,21)12-7-2-1-3-8-12/h1-10,17H/b13-10-.
What are the key properties of N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide?
N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 6520001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).