4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide

C24H21N5O2S2 — CID 101464386

IUPAC4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1nc(N/N=C2/CCc3ccccc32)sc1-c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C24H21N5O2S2/c1-16-23(32-24(26-16)28-27-21-14-11-17-6-2-3-7-20(17)21)18-9-12-19(13-10-18)33(30,31)29-22-8-4-5-15-25-22/h2-10,12-13,15H,11,14H2,1H3,(H,25,29)(H,26,28)/b27-21-
InChIKeyJPYXWWVBENZWDJ-MEFGMAGPSA-N
MW475.60 g/mol
LogP5.08
Rot. Bonds6

About 4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide

4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 101464386) has the molecular formula C24H21N5O2S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID101464386
Molecular FormulaC24H21N5O2S2
Molecular Weight475.60 g/mol
Exact Mass475.11
IUPAC Name4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1nc(N/N=C2/CCc3ccccc32)sc1-c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C24H21N5O2S2/c1-16-23(32-24(26-16)28-27-21-14-11-17-6-2-3-7-20(17)21)18-9-12-19(13-10-18)33(30,31)29-22-8-4-5-15-25-22/h2-10,12-13,15H,11,14H2,1H3,(H,25,29)(H,26,28)/b27-21-
InChIKeyJPYXWWVBENZWDJ-MEFGMAGPSA-N
XLogP5.08
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide (CID 101464386) is 4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide is Cc1nc(N/N=C2/CCc3ccccc32)sc1-c1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is JPYXWWVBENZWDJ-MEFGMAGPSA-N. The full InChI is InChI=1S/C24H21N5O2S2/c1-16-23(32-24(26-16)28-27-21-14-11-17-6-2-3-7-20(17)21)18-9-12-19(13-10-18)33(30,31)29-22-8-4-5-15-25-22/h2-10,12-13,15H,11,14H2,1H3,(H,25,29)(H,26,28)/b27-21-.
What are the key properties of 4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide?
4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 475.60 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-4-methyl-1,3-thiazol-5-yl]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 101464386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).