(2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone

C20H17N3O3S — CID 10523762

IUPAC(2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone
SMILESNc1ccc(N/N=C(\C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H17N3O3S/c21-16-11-13-17(14-12-16)22-23-20(19(24)15-7-3-1-4-8-15)27(25,26)18-9-5-2-6-10-18/h1-14,22H,21H2/b23-20+
InChIKeyYQUAEPYWLJKOLD-BSYVCWPDSA-N
MW379.44 g/mol
LogP3.35
Rot. Bonds5

About (2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone

(2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone (PubChem CID 10523762) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is (2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone.

Molecular Properties

Compound Name(2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone
PubChem CID10523762
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name(2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone
SMILESNc1ccc(N/N=C(\C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H17N3O3S/c21-16-11-13-17(14-12-16)22-23-20(19(24)15-7-3-1-4-8-15)27(25,26)18-9-5-2-6-10-18/h1-14,22H,21H2/b23-20+
InChIKeyYQUAEPYWLJKOLD-BSYVCWPDSA-N
XLogP3.35
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone
CID 6514956
2-oxo-2-phenyl-1-(phenylhydrazinylidene)ethanesulfonate
CID 4571760
(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one
CID 5410527
(2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone
CID 175665260
4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide
CID 21176411
(2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide
CID 5407441
ethyl 2-(benzenesulfonyl)-2-(phenylhydrazinylidene)acetate
CID 794239
N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide
CID 46187228
(1E)-1-(benzenesulfonyl)-3-chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one
CID 15047431
2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone
CID 2753823
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299
1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone
CID 173282909

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone?
The IUPAC name of (2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone (CID 10523762) is (2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone.
What is the SMILES notation for (2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone?
The canonical SMILES for (2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone is Nc1ccc(N/N=C(\C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone?
The InChIKey is YQUAEPYWLJKOLD-BSYVCWPDSA-N. The full InChI is InChI=1S/C20H17N3O3S/c21-16-11-13-17(14-12-16)22-23-20(19(24)15-7-3-1-4-8-15)27(25,26)18-9-5-2-6-10-18/h1-14,22H,21H2/b23-20+.
What are the key properties of (2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone?
(2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone has a molecular weight of 379.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone is sourced from PubChem (CID 10523762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).