(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one

C15H14N2O3S — CID 5410527

IUPAC(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one
SMILESCC(=O)/C(=N/Nc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N2O3S/c1-12(18)15(17-16-13-8-4-2-5-9-13)21(19,20)14-10-6-3-7-11-14/h2-11,16H,1H3/b17-15-
InChIKeyRZQNILRFUKLCOL-ICFOKQHNSA-N
MW302.36 g/mol
LogP2.47
Rot. Bonds4

About (1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one

(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one (PubChem CID 5410527) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is (1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one.

Molecular Properties

Compound Name(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one
PubChem CID5410527
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one
SMILESCC(=O)/C(=N/Nc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N2O3S/c1-12(18)15(17-16-13-8-4-2-5-9-13)21(19,20)14-10-6-3-7-11-14/h2-11,16H,1H3/b17-15-
InChIKeyRZQNILRFUKLCOL-ICFOKQHNSA-N
XLogP2.47
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethyl 2-(benzenesulfonyl)-2-(phenylhydrazinylidene)acetate
CID 794239
(1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one
CID 6521294
(1E)-1-(benzenesulfonyl)-3-chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one
CID 15047431
N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide
CID 46187228
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299
(2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone
CID 10523762
(2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone
CID 6514956
(2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide
CID 5407441
4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide
CID 21176411
N'-anilino-2-oxopropanimidamide
CID 6340113
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone
CID 2753823

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one?
The IUPAC name of (1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one (CID 5410527) is (1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one.
What is the SMILES notation for (1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one?
The canonical SMILES for (1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one is CC(=O)/C(=N/Nc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one?
The InChIKey is RZQNILRFUKLCOL-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-12(18)15(17-16-13-8-4-2-5-9-13)21(19,20)14-10-6-3-7-11-14/h2-11,16H,1H3/b17-15-.
What are the key properties of (1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one?
(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one has a molecular weight of 302.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one is sourced from PubChem (CID 5410527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).