N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide

C20H23N3O6S — CID 26980395

IUPACN'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2)cc(OCC)c1OCC
InChIInChI=1S/C20H23N3O6S/c1-4-27-17-11-15(12-18(28-5-2)19(17)29-6-3)20(24)22-23-30(25,26)16-9-7-14(13-21)8-10-16/h7-12,23H,4-6H2,1-3H3,(H,22,24)
InChIKeyRXTGAMFWEOBEEU-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.38
Rot. Bonds10

About N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide

N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide (PubChem CID 26980395) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide
PubChem CID26980395
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC NameN'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2)cc(OCC)c1OCC
InChIInChI=1S/C20H23N3O6S/c1-4-27-17-11-15(12-18(28-5-2)19(17)29-6-3)20(24)22-23-30(25,26)16-9-7-14(13-21)8-10-16/h7-12,23H,4-6H2,1-3H3,(H,22,24)
InChIKeyRXTGAMFWEOBEEU-UHFFFAOYSA-N
XLogP2.38
TPSA126.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
CID 8523714
3,4,5-triethoxy-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide
CID 30782171
4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
CID 26951550
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide
CID 9238646
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 2520365
N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617286

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide?
The IUPAC name of N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide (CID 26980395) is N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide.
What is the SMILES notation for N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide?
The canonical SMILES for N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide is CCOc1cc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2)cc(OCC)c1OCC.
What is the InChIKey of N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide?
The InChIKey is RXTGAMFWEOBEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-4-27-17-11-15(12-18(28-5-2)19(17)29-6-3)20(24)22-23-30(25,26)16-9-7-14(13-21)8-10-16/h7-12,23H,4-6H2,1-3H3,(H,22,24).
What are the key properties of N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide?
N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide has a molecular weight of 433.49 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide is sourced from PubChem (CID 26980395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).