(2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone

C25H23N5O5S2 — CID 175665260

IUPAC(2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone
SMILESCC1=CC(C)=NN(S(=O)(=O)c2ccc(N/N=C(/C(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc2)N1
InChIInChI=1S/C25H23N5O5S2/c1-18-17-19(2)29-30(28-18)37(34,35)23-15-13-21(14-16-23)26-27-25(24(31)20-9-5-3-6-10-20)36(32,33)22-11-7-4-8-12-22/h3-17,26,28H,1-2H3/b27-25-
InChIKeyUCKHMODTUKOSPC-RFBIWTDZSA-N
MW537.62 g/mol
LogP3.56
Rot. Bonds7

About (2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone

(2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone (PubChem CID 175665260) has the molecular formula C25H23N5O5S2 and a molecular weight of 537.62 g/mol. Its IUPAC name is (2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone.

Molecular Properties

Compound Name(2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone
PubChem CID175665260
Molecular FormulaC25H23N5O5S2
Molecular Weight537.62 g/mol
Exact Mass537.11
IUPAC Name(2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone
SMILESCC1=CC(C)=NN(S(=O)(=O)c2ccc(N/N=C(/C(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc2)N1
InChIInChI=1S/C25H23N5O5S2/c1-18-17-19(2)29-30(28-18)37(34,35)23-15-13-21(14-16-23)26-27-25(24(31)20-9-5-3-6-10-20)36(32,33)22-11-7-4-8-12-22/h3-17,26,28H,1-2H3/b27-25-
InChIKeyUCKHMODTUKOSPC-RFBIWTDZSA-N
XLogP3.56
TPSA137.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.62
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone
CID 10523762
(2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone
CID 6514956
N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide
CID 46187228
2-oxo-2-phenyl-1-(phenylhydrazinylidene)ethanesulfonate
CID 4571760
(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one
CID 5410527
(1E)-1-(benzenesulfonyl)-3-chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one
CID 15047431
ethyl 2-(benzenesulfonyl)-2-(phenylhydrazinylidene)acetate
CID 794239
(2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide
CID 5407441
4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide
CID 21176411
2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone
CID 2753823
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299
(1E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxo-2-phenylethanimidoyl cyanide
CID 134107096

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone?
The IUPAC name of (2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone (CID 175665260) is (2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone.
What is the SMILES notation for (2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone?
The canonical SMILES for (2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone is CC1=CC(C)=NN(S(=O)(=O)c2ccc(N/N=C(/C(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc2)N1.
What is the InChIKey of (2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone?
The InChIKey is UCKHMODTUKOSPC-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H23N5O5S2/c1-18-17-19(2)29-30(28-18)37(34,35)23-15-13-21(14-16-23)26-27-25(24(31)20-9-5-3-6-10-20)36(32,33)22-11-7-4-8-12-22/h3-17,26,28H,1-2H3/b27-25-.
What are the key properties of (2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone?
(2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone has a molecular weight of 537.62 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone is sourced from PubChem (CID 175665260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).