3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide

C19H24N2O6S — CID 8523659

IUPAC3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O6S/c1-12(2)13-6-8-15(9-7-13)28(23,24)21-20-19(22)14-10-16(25-3)18(27-5)17(11-14)26-4/h6-12,21H,1-5H3,(H,20,22)
InChIKeyHAVGSDZPXKCYSJ-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.46
Rot. Bonds8

About 3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide

3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide (PubChem CID 8523659) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
PubChem CID8523659
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O6S/c1-12(2)13-6-8-15(9-7-13)28(23,24)21-20-19(22)14-10-16(25-3)18(27-5)17(11-14)26-4/h6-12,21H,1-5H3,(H,20,22)
InChIKeyHAVGSDZPXKCYSJ-UHFFFAOYSA-N
XLogP2.46
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.46
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

N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 26980277
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8523641
3,4,5-trimethoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100338
N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523643
4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide
CID 55447326
N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzenesulfonohydrazide
CID 2643082
N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
CID 8523714
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide
CID 8615539
3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
CID 31301682

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide (CID 8523659) is 3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide?
The InChIKey is HAVGSDZPXKCYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-12(2)13-6-8-15(9-7-13)28(23,24)21-20-19(22)14-10-16(25-3)18(27-5)17(11-14)26-4/h6-12,21H,1-5H3,(H,20,22).
What are the key properties of 3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide?
3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide has a molecular weight of 408.48 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 8523659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).