3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide

C16H15F3N2O6S — CID 24662326

IUPAC3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O6S/c1-25-12-6-10(7-13(8-12)26-2)15(22)20-21-28(23,24)14-5-3-4-11(9-14)27-16(17,18)19/h3-9,21H,1-2H3,(H,20,22)
InChIKeyBUAYNLDMACEOMC-UHFFFAOYSA-N
MW420.37 g/mol
LogP2.23
Rot. Bonds7

About 3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide

3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide (PubChem CID 24662326) has the molecular formula C16H15F3N2O6S and a molecular weight of 420.37 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
PubChem CID24662326
Molecular FormulaC16H15F3N2O6S
Molecular Weight420.37 g/mol
Exact Mass420.06
IUPAC Name3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O6S/c1-25-12-6-10(7-13(8-12)26-2)15(22)20-21-28(23,24)14-5-3-4-11(9-14)27-16(17,18)19/h3-9,21H,1-2H3,(H,20,22)
InChIKeyBUAYNLDMACEOMC-UHFFFAOYSA-N
XLogP2.23
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 52.23
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

2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide
CID 24662232
(3,5-dimethoxyphenyl) 3-(trifluoromethoxy)benzenesulfonate
CID 31776008
N'-[3-(trifluoromethoxy)phenyl]sulfonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31777309
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 60726679
3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8616640
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 35546488
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide (CID 24662326) is 3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide is COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide?
The InChIKey is BUAYNLDMACEOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O6S/c1-25-12-6-10(7-13(8-12)26-2)15(22)20-21-28(23,24)14-5-3-4-11(9-14)27-16(17,18)19/h3-9,21H,1-2H3,(H,20,22).
What are the key properties of 3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide?
3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide has a molecular weight of 420.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide is sourced from PubChem (CID 24662326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).