N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide

C24H24N2O6S — CID 123766851

IUPACN'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide
SMILESCC(C)c1cc(C(=Cc2ccc3c(c2)OCO3)NNS(=O)(=O)c2ccccc2)c(O)cc1O
InChIInChI=1S/C24H24N2O6S/c1-15(2)18-12-19(22(28)13-21(18)27)20(10-16-8-9-23-24(11-16)32-14-31-23)25-26-33(29,30)17-6-4-3-5-7-17/h3-13,15,25-28H,14H2,1-2H3
InChIKeyQJXCMSDZZYLQOD-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.93
Rot. Bonds7

About N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide

N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide (PubChem CID 123766851) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide
PubChem CID123766851
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC NameN'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide
SMILESCC(C)c1cc(C(=Cc2ccc3c(c2)OCO3)NNS(=O)(=O)c2ccccc2)c(O)cc1O
InChIInChI=1S/C24H24N2O6S/c1-15(2)18-12-19(22(28)13-21(18)27)20(10-16-8-9-23-24(11-16)32-14-31-23)25-26-33(29,30)17-6-4-3-5-7-17/h3-13,15,25-28H,14H2,1-2H3
InChIKeyQJXCMSDZZYLQOD-UHFFFAOYSA-N
XLogP3.93
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2,4-dihydroxy-N-phenyl-5-propan-2-ylbenzenecarboximidamide
CID 143918415
(Z)-1-(1,3-benzodioxol-5-yl)-2-hydroxy-4-methylpent-1-en-3-one
CID 130434088
(2S)-2-[[2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 6999415
(2E)-5-(1,3-benzodioxol-5-yl)-4-methylpenta-2,4-dienoic acid
CID 173186075
2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoyl]amino]benzoic acid
CID 146177751
2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
CID 723289
(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
CID 5397527
N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 137093010
(2S)-2-(benzenesulfonamido)-N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutanamide
CID 25488693
(E,4Z)-4-(1,3-benzodioxol-5-ylmethylidene)hex-2-enoic acid
CID 87842957
(Z,4E)-4-(1,3-benzodioxol-5-ylmethylidene)hex-2-enoic acid
CID 87843026
(2E,3E)-2,3-bis(1,3-benzodioxol-5-ylmethylidene)butanedioic acid
CID 11090237

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide?
The IUPAC name of N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide (CID 123766851) is N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide.
What is the SMILES notation for N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide?
The canonical SMILES for N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide is CC(C)c1cc(C(=Cc2ccc3c(c2)OCO3)NNS(=O)(=O)c2ccccc2)c(O)cc1O.
What is the InChIKey of N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide?
The InChIKey is QJXCMSDZZYLQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-15(2)18-12-19(22(28)13-21(18)27)20(10-16-8-9-23-24(11-16)32-14-31-23)25-26-33(29,30)17-6-4-3-5-7-17/h3-13,15,25-28H,14H2,1-2H3.
What are the key properties of N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide?
N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide has a molecular weight of 468.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]benzenesulfonohydrazide is sourced from PubChem (CID 123766851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).