3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide

C18H20N2O7S — CID 31301682

IUPAC3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O7S/c1-25-14-9-12(10-15(26-2)16(14)27-3)18(22)20-19-17(21)11-6-5-7-13(8-11)28(4,23)24/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyQGIZSCLALGXJCB-UHFFFAOYSA-N
MW408.43 g/mol
LogP1.19
Rot. Bonds6

About 3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide

3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide (PubChem CID 31301682) has the molecular formula C18H20N2O7S and a molecular weight of 408.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
PubChem CID31301682
Molecular FormulaC18H20N2O7S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC Name3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O7S/c1-25-14-9-12(10-15(26-2)16(14)27-3)18(22)20-19-17(21)11-6-5-7-13(8-11)28(4,23)24/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyQGIZSCLALGXJCB-UHFFFAOYSA-N
XLogP1.19
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 51.19
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'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 2715629
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
methyl 3-methylsulfonylbenzoate
CID 6432252
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
3-methyl-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126229364
3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231092
3,4,5-trimethoxy-N'-[1-(3-methoxyphenyl)ethenyl]benzohydrazide
CID 2401018
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-methylsulfonylbenzamide
CID 47063310
N-bromo-3-methylsulfonylbenzamide
CID 174925666
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide (CID 31301682) is 3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide is COc1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide?
The InChIKey is QGIZSCLALGXJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S/c1-25-14-9-12(10-15(26-2)16(14)27-3)18(22)20-19-17(21)11-6-5-7-13(8-11)28(4,23)24/h5-10H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide?
3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide has a molecular weight of 408.43 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 31301682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).