N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide

C17H17N3O6S — CID 8523669

IUPACN'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1OC
InChIInChI=1S/C17H17N3O6S/c1-24-14-8-12(9-15(25-2)16(14)26-3)17(21)19-20-27(22,23)13-6-4-5-11(7-13)10-18/h4-9,20H,1-3H3,(H,19,21)
InChIKeyRJZCXLLFSBZVQB-UHFFFAOYSA-N
MW391.41 g/mol
LogP1.21
Rot. Bonds7

About N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide

N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide (PubChem CID 8523669) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
PubChem CID8523669
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC NameN'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1OC
InChIInChI=1S/C17H17N3O6S/c1-24-14-8-12(9-15(25-2)16(14)26-3)17(21)19-20-27(22,23)13-6-4-5-11(7-13)10-18/h4-9,20H,1-3H3,(H,19,21)
InChIKeyRJZCXLLFSBZVQB-UHFFFAOYSA-N
XLogP1.21
TPSA126.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-cyanophenyl)sulfonyl-4,5-dimethoxybenzamide
CID 75403992
N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 26980277
N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide
CID 71940242
N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
CID 8523714
3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8523659
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8523641
N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
CID 8614258
N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide
CID 26980395
3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
CID 31301682
N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzenesulfonohydrazide
CID 2643082
N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523643

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide (CID 8523669) is N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1OC.
What is the InChIKey of N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide?
The InChIKey is RJZCXLLFSBZVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S/c1-24-14-8-12(9-15(25-2)16(14)26-3)17(21)19-20-27(22,23)13-6-4-5-11(7-13)10-18/h4-9,20H,1-3H3,(H,19,21).
What are the key properties of N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide?
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide has a molecular weight of 391.41 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 8523669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).