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

C21H19F2N3O3S — CID 1474574

IUPAC2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide
SMILESCc1cc(-c2ccccc2)nc(N(C)NC(=O)c2c(F)cccc2F)c1S(C)(=O)=O
InChIInChI=1S/C21H19F2N3O3S/c1-13-12-17(14-8-5-4-6-9-14)24-20(19(13)30(3,28)29)26(2)25-21(27)18-15(22)10-7-11-16(18)23/h4-12H,1-3H3,(H,25,27)
InChIKeyYGOYUCSYIMNRLF-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.52
Rot. Bonds5

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

2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide (PubChem CID 1474574) has the molecular formula C21H19F2N3O3S and a molecular weight of 431.46 g/mol. Its IUPAC name is 2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide.

Molecular Properties

Compound Name2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide
PubChem CID1474574
Molecular FormulaC21H19F2N3O3S
Molecular Weight431.46 g/mol
Exact Mass431.11
IUPAC Name2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide
SMILESCc1cc(-c2ccccc2)nc(N(C)NC(=O)c2c(F)cccc2F)c1S(C)(=O)=O
InChIInChI=1S/C21H19F2N3O3S/c1-13-12-17(14-8-5-4-6-9-14)24-20(19(13)30(3,28)29)26(2)25-21(27)18-15(22)10-7-11-16(18)23/h4-12H,1-3H3,(H,25,27)
InChIKeyYGOYUCSYIMNRLF-UHFFFAOYSA-N
XLogP3.52
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.52
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 2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide?
The IUPAC name of 2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide (CID 1474574) is 2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide.
What is the SMILES notation for 2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide?
The canonical SMILES for 2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide is Cc1cc(-c2ccccc2)nc(N(C)NC(=O)c2c(F)cccc2F)c1S(C)(=O)=O.
What is the InChIKey of 2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide?
The InChIKey is YGOYUCSYIMNRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S/c1-13-12-17(14-8-5-4-6-9-14)24-20(19(13)30(3,28)29)26(2)25-21(27)18-15(22)10-7-11-16(18)23/h4-12H,1-3H3,(H,25,27).
What are the key properties of 2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide?
2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide has a molecular weight of 431.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)benzohydrazide is sourced from PubChem (CID 1474574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).