2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide

C16H17N3O7S — CID 1009767

IUPAC2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide
SMILESCOc1ccc(CC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC
InChIInChI=1S/C16H17N3O7S/c1-25-14-8-3-11(9-15(14)26-2)10-16(20)17-18-27(23,24)13-6-4-12(5-7-13)19(21)22/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKeyIAQAINCIORHADW-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.16
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide

2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide (PubChem CID 1009767) has the molecular formula C16H17N3O7S and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide
PubChem CID1009767
Molecular FormulaC16H17N3O7S
Molecular Weight395.39 g/mol
Exact Mass395.08
IUPAC Name2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide
SMILESCOc1ccc(CC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC
InChIInChI=1S/C16H17N3O7S/c1-25-14-8-3-11(9-15(14)26-2)10-16(20)17-18-27(23,24)13-6-4-12(5-7-13)19(21)22/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKeyIAQAINCIORHADW-UHFFFAOYSA-N
XLogP1.16
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]acetamide
CID 47005175
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679
3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
CID 9243942
3-(3,4-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]propanamide
CID 23087634
(4-nitrophenyl)methyl N-[(3,4-dimethoxyphenyl)methyl]carbamate
CID 4064527
bis[2-[(3,4-dimethoxyphenyl)methyl]-4-nitrophenyl] carbonate
CID 142685893
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)pentanamide
CID 57037123
[(4-nitrophenyl)sulfonylamino]carbamic acid
CID 170161166
N-[(2R)-4-(3,4-dimethoxyphenyl)-1-hydroxy-1-phenylbutan-2-yl]-4-nitrobenzenesulfonamide
CID 102189950
benzyl 3-(3,4-dimethoxyphenyl)-3-hydroxy-2-[(4-nitrophenyl)sulfonylamino]propanoate
CID 139746699
2-[(3,4-dimethoxyphenyl)methyl]-4-nitrobenzenesulfonamide
CID 175211045

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide (CID 1009767) is 2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide is COc1ccc(CC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide?
The InChIKey is IAQAINCIORHADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O7S/c1-25-14-8-3-11(9-15(14)26-2)10-16(20)17-18-27(23,24)13-6-4-12(5-7-13)19(21)22/h3-9,18H,10H2,1-2H3,(H,17,20).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide?
2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide has a molecular weight of 395.39 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 1009767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).