4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide

C15H16N2O4S2 — CID 8500656

IUPAC4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S2/c1-13-7-9-15(10-8-13)23(20,21)17-16-22(18,19)12-11-14-5-3-2-4-6-14/h2-12,16-17H,1H3/b12-11+
InChIKeyCFBGDEMWOAFIQK-VAWYXSNFSA-N
MW352.44 g/mol
LogP1.78
Rot. Bonds6

About 4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide

4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide (PubChem CID 8500656) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide
PubChem CID8500656
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Name4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S2/c1-13-7-9-15(10-8-13)23(20,21)17-16-22(18,19)12-11-14-5-3-2-4-6-14/h2-12,16-17H,1H3/b12-11+
InChIKeyCFBGDEMWOAFIQK-VAWYXSNFSA-N
XLogP1.78
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide
CID 167832614
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
[(E)-2-phenylethenyl] 4-methylbenzenesulfonate
CID 42643365
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 10519274
4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide
CID 11152440
N-(4,6-dimethylpyrimidin-2-yl)-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 1110754
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide
CID 102233869
(E,3S)-3-[(4-methylphenyl)sulfonylamino]-5-phenylpent-4-enoic acid
CID 101455223

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide?
The IUPAC name of 4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide (CID 8500656) is 4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide?
The canonical SMILES for 4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide?
The InChIKey is CFBGDEMWOAFIQK-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-13-7-9-15(10-8-13)23(20,21)17-16-22(18,19)12-11-14-5-3-2-4-6-14/h2-12,16-17H,1H3/b12-11+.
What are the key properties of 4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide?
4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide has a molecular weight of 352.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide is sourced from PubChem (CID 8500656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).