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

C18H22N2O6S — CID 26980277

IUPACN'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O6S/c1-11-6-7-14(8-12(11)2)27(22,23)20-19-18(21)13-9-15(24-3)17(26-5)16(10-13)25-4/h6-10,20H,1-5H3,(H,19,21)
InChIKeyXDEPFQHZYOBEPD-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.95
Rot. Bonds7

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

N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide (PubChem CID 26980277) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
PubChem CID26980277
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC NameN'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O6S/c1-11-6-7-14(8-12(11)2)27(22,23)20-19-18(21)13-9-15(24-3)17(26-5)16(10-13)25-4/h6-10,20H,1-5H3,(H,19,21)
InChIKeyXDEPFQHZYOBEPD-UHFFFAOYSA-N
XLogP1.95
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8523659
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8523641
N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523643
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541
N'-(3-bromo-4-methylbenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4509539
N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
CID 39826924
3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
CID 31301682
N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzenesulfonohydrazide
CID 2643082
N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
CID 8523714

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide (CID 26980277) is N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)cc(OC)c1OC.
What is the InChIKey of N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide?
The InChIKey is XDEPFQHZYOBEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-11-6-7-14(8-12(11)2)27(22,23)20-19-18(21)13-9-15(24-3)17(26-5)16(10-13)25-4/h6-10,20H,1-5H3,(H,19,21).
What are the key properties of N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide?
N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide has a molecular weight of 394.45 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 26980277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).