3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide

C17H19N3O8S — CID 26680885

IUPAC3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC
InChIInChI=1S/C17H19N3O8S/c1-10-5-6-12(9-13(10)20(22)23)29(24,25)19-18-17(21)11-7-14(26-2)16(28-4)15(8-11)27-3/h5-9,19H,1-4H3,(H,18,21)
InChIKeyFXZXLLAFEAWYJJ-UHFFFAOYSA-N
MW425.42 g/mol
LogP1.55
Rot. Bonds8

About 3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide

3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide (PubChem CID 26680885) has the molecular formula C17H19N3O8S and a molecular weight of 425.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
PubChem CID26680885
Molecular FormulaC17H19N3O8S
Molecular Weight425.42 g/mol
Exact Mass425.09
IUPAC Name3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC
InChIInChI=1S/C17H19N3O8S/c1-10-5-6-12(9-13(10)20(22)23)29(24,25)19-18-17(21)11-7-14(26-2)16(28-4)15(8-11)27-3/h5-9,19H,1-4H3,(H,18,21)
InChIKeyFXZXLLAFEAWYJJ-UHFFFAOYSA-N
XLogP1.55
TPSA146.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 26980277
3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8523659
(E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164918
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 8616963
2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9164866
(E)-3-(3-fluoro-4-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9208056
4-methoxy-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid
CID 71878117
N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide
CID 110454037
3,4,5-trimethoxy-N-(2-methyl-6-nitrophenyl)benzamide
CID 45051049
methyl 4,5-dimethoxy-2-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate
CID 4824340
3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8523641

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide (CID 26680885) is 3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide?
The InChIKey is FXZXLLAFEAWYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O8S/c1-10-5-6-12(9-13(10)20(22)23)29(24,25)19-18-17(21)11-7-14(26-2)16(28-4)15(8-11)27-3/h5-9,19H,1-4H3,(H,18,21).
What are the key properties of 3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide?
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide has a molecular weight of 425.42 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 26680885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).