N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide

C28H24ClN7O3S2 — CID 24816406

IUPACN'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/S(=O)(=O)c1ccc(-n2cc(/C=N\N=C3/SCC(=O)N3c3ccc(Cl)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H24ClN7O3S2/c1-34(2)19-31-41(38,39)25-14-12-23(13-15-25)35-17-21(27(33-35)20-6-4-3-5-7-20)16-30-32-28-36(26(37)18-40-28)24-10-8-22(29)9-11-24/h3-17,19H,18H2,1-2H3/b30-16-,31-19+,32-28-
InChIKeyZOIFEYWRVOGYAD-LAQXCBALSA-N
MW606.13 g/mol
LogP4.94
Rot. Bonds8

About N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide

N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 24816406) has the molecular formula C28H24ClN7O3S2 and a molecular weight of 606.13 g/mol. Its IUPAC name is N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide
PubChem CID24816406
Molecular FormulaC28H24ClN7O3S2
Molecular Weight606.13 g/mol
Exact Mass605.11
IUPAC NameN'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/S(=O)(=O)c1ccc(-n2cc(/C=N\N=C3/SCC(=O)N3c3ccc(Cl)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H24ClN7O3S2/c1-34(2)19-31-41(38,39)25-14-12-23(13-15-25)35-17-21(27(33-35)20-6-4-3-5-7-20)16-30-32-28-36(26(37)18-40-28)24-10-8-22(29)9-11-24/h3-17,19H,18H2,1-2H3/b30-16-,31-19+,32-28-
InChIKeyZOIFEYWRVOGYAD-LAQXCBALSA-N
XLogP4.94
TPSA112.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.13
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide (CID 24816406) is N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide is CN(C)/C=N/S(=O)(=O)c1ccc(-n2cc(/C=N\N=C3/SCC(=O)N3c3ccc(Cl)cc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is ZOIFEYWRVOGYAD-LAQXCBALSA-N. The full InChI is InChI=1S/C28H24ClN7O3S2/c1-34(2)19-31-41(38,39)25-14-12-23(13-15-25)35-17-21(27(33-35)20-6-4-3-5-7-20)16-30-32-28-36(26(37)18-40-28)24-10-8-22(29)9-11-24/h3-17,19H,18H2,1-2H3/b30-16-,31-19+,32-28-.
What are the key properties of N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide?
N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 606.13 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 24816406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).