N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide

C22H20F3N3O3S — CID 1474572

IUPACN'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide
SMILESCc1cc(-c2ccccc2)nc(N(C)NC(=O)c2cccc(C(F)(F)F)c2)c1S(C)(=O)=O
InChIInChI=1S/C22H20F3N3O3S/c1-14-12-18(15-8-5-4-6-9-15)26-20(19(14)32(3,30)31)28(2)27-21(29)16-10-7-11-17(13-16)22(23,24)25/h4-13H,1-3H3,(H,27,29)
InChIKeyZGRFPEIYBWZNJB-UHFFFAOYSA-N
MW463.48 g/mol
LogP4.26
Rot. Bonds5

About N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide

N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide (PubChem CID 1474572) has the molecular formula C22H20F3N3O3S and a molecular weight of 463.48 g/mol. Its IUPAC name is N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide
PubChem CID1474572
Molecular FormulaC22H20F3N3O3S
Molecular Weight463.48 g/mol
Exact Mass463.12
IUPAC NameN'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide
SMILESCc1cc(-c2ccccc2)nc(N(C)NC(=O)c2cccc(C(F)(F)F)c2)c1S(C)(=O)=O
InChIInChI=1S/C22H20F3N3O3S/c1-14-12-18(15-8-5-4-6-9-15)26-20(19(14)32(3,30)31)28(2)27-21(29)16-10-7-11-17(13-16)22(23,24)25/h4-13H,1-3H3,(H,27,29)
InChIKeyZGRFPEIYBWZNJB-UHFFFAOYSA-N
XLogP4.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide (CID 1474572) is N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide is Cc1cc(-c2ccccc2)nc(N(C)NC(=O)c2cccc(C(F)(F)F)c2)c1S(C)(=O)=O.
What is the InChIKey of N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide?
The InChIKey is ZGRFPEIYBWZNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3S/c1-14-12-18(15-8-5-4-6-9-15)26-20(19(14)32(3,30)31)28(2)27-21(29)16-10-7-11-17(13-16)22(23,24)25/h4-13H,1-3H3,(H,27,29).
What are the key properties of N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide?
N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide has a molecular weight of 463.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 1474572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).