N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide

C11H16N2O4S2 — CID 167832614

IUPACN'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide
SMILESCC(C)S(=O)(=O)NNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H16N2O4S2/c1-10(2)19(16,17)13-12-18(14,15)9-8-11-6-4-3-5-7-11/h3-10,12-13H,1-2H3/b9-8+
InChIKeyBXUHUVAOUKIOLC-CMDGGOBGSA-N
MW304.39 g/mol
LogP0.82
Rot. Bonds6

About N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide

N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide (PubChem CID 167832614) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide.

Molecular Properties

Compound NameN'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide
PubChem CID167832614
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC NameN'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide
SMILESCC(C)S(=O)(=O)NNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H16N2O4S2/c1-10(2)19(16,17)13-12-18(14,15)9-8-11-6-4-3-5-7-11/h3-10,12-13H,1-2H3/b9-8+
InChIKeyBXUHUVAOUKIOLC-CMDGGOBGSA-N
XLogP0.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.82
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

(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide
CID 8500656
N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
CID 71873114
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
N-(azetidin-3-yl)-2-phenylethenesulfonamide
CID 77114365
(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide
CID 43605703
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
CID 139258056
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide?
The IUPAC name of N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide (CID 167832614) is N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide.
What is the SMILES notation for N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide?
The canonical SMILES for N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide is CC(C)S(=O)(=O)NNS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide?
The InChIKey is BXUHUVAOUKIOLC-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-10(2)19(16,17)13-12-18(14,15)9-8-11-6-4-3-5-7-11/h3-10,12-13H,1-2H3/b9-8+.
What are the key properties of N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide?
N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide has a molecular weight of 304.39 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide is sourced from PubChem (CID 167832614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).