3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide

C20H26N2O5S — CID 8523716

IUPAC3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-11-12(2)14(4)19(15(5)13(11)3)28(24,25)22-21-20(23)16-8-9-17(26-6)18(10-16)27-7/h8-10,22H,1-7H3,(H,21,23)
InChIKeyKVOXTNCPPCGRAZ-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.87
Rot. Bonds6

About 3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide

3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide (PubChem CID 8523716) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
PubChem CID8523716
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-11-12(2)14(4)19(15(5)13(11)3)28(24,25)22-21-20(23)16-8-9-17(26-6)18(10-16)27-7/h8-10,22H,1-7H3,(H,21,23)
InChIKeyKVOXTNCPPCGRAZ-UHFFFAOYSA-N
XLogP2.87
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
CID 8523714
2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
CID 8506562
4-bromo-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 26951559
4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide
CID 55447326
4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide
CID 9238646
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 3408360
N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 24645355
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 873947
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide (CID 8523716) is 3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide is COc1ccc(C(=O)NNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide?
The InChIKey is KVOXTNCPPCGRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-11-12(2)14(4)19(15(5)13(11)3)28(24,25)22-21-20(23)16-8-9-17(26-6)18(10-16)27-7/h8-10,22H,1-7H3,(H,21,23).
What are the key properties of 3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide?
3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide has a molecular weight of 406.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 8523716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).