(NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide

C19H12ClN3O3S2 — CID 135430169

IUPAC(NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESO=C1N/C(=N/S(=O)(=O)c2ccccc2Cl)S/C1=C/c1ccc2ncccc2c1
InChIInChI=1S/C19H12ClN3O3S2/c20-14-5-1-2-6-17(14)28(25,26)23-19-22-18(24)16(27-19)11-12-7-8-15-13(10-12)4-3-9-21-15/h1-11H,(H,22,23,24)/b16-11+
InChIKeyUWQFOXZSBUBKSV-LFIBNONCSA-N
MW429.91 g/mol
LogP3.84
Rot. Bonds3

About (NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide

(NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide (PubChem CID 135430169) has the molecular formula C19H12ClN3O3S2 and a molecular weight of 429.91 g/mol. Its IUPAC name is (NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
PubChem CID135430169
Molecular FormulaC19H12ClN3O3S2
Molecular Weight429.91 g/mol
Exact Mass429.00
IUPAC Name(NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESO=C1N/C(=N/S(=O)(=O)c2ccccc2Cl)S/C1=C/c1ccc2ncccc2c1
InChIInChI=1S/C19H12ClN3O3S2/c20-14-5-1-2-6-17(14)28(25,26)23-19-22-18(24)16(27-19)11-12-7-8-15-13(10-12)4-3-9-21-15/h1-11H,(H,22,23,24)/b16-11+
InChIKeyUWQFOXZSBUBKSV-LFIBNONCSA-N
XLogP3.84
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 53.84
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

2-[(3,5-dichloro-4-pyridinyl)imino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136649408
methyl 3-[(E)-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]sulfonylthiophene-2-carboxylate
CID 135574795
2-[(2-chloro-3-pyridinyl)imino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136659589
(5Z)-2-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135424330
(5E)-2-(2-methylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745036
2-(1H-pyrazol-5-ylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136624407
2-[2-chloro-5-(hydroxymethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136650741
(5E)-5-(quinolin-6-ylmethylidene)-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135745011
N-[3-chloro-4-[[4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]phenyl]benzamide
CID 136654761
4-chloro-N-cyclobutyl-3-[[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 135428785
(5E)-2-(2,3-dimethylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745009
2-(2-hydroxypropylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136510788

Frequently Asked Questions

What is the IUPAC name of (NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of (NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide (CID 135430169) is (NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide is O=C1N/C(=N/S(=O)(=O)c2ccccc2Cl)S/C1=C/c1ccc2ncccc2c1.
What is the InChIKey of (NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is UWQFOXZSBUBKSV-LFIBNONCSA-N. The full InChI is InChI=1S/C19H12ClN3O3S2/c20-14-5-1-2-6-17(14)28(25,26)23-19-22-18(24)16(27-19)11-12-7-8-15-13(10-12)4-3-9-21-15/h1-11H,(H,22,23,24)/b16-11+.
What are the key properties of (NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
(NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 429.91 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 135430169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).