N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide

C19H16FN3O3S — CID 135298758

IUPACN'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ccccn2)c1
InChIInChI=1S/C19H16FN3O3S/c1-13-10-14(17-7-4-5-9-21-17)12-15(11-13)19(24)22-23-27(25,26)18-8-3-2-6-16(18)20/h2-12,23H,1H3,(H,22,24)
InChIKeyMFQSCAYVMNLHQE-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.82
Rot. Bonds5

About N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide

N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide (PubChem CID 135298758) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide
PubChem CID135298758
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ccccn2)c1
InChIInChI=1S/C19H16FN3O3S/c1-13-10-14(17-7-4-5-9-21-17)12-15(11-13)19(24)22-23-27(25,26)18-8-3-2-6-16(18)20/h2-12,23H,1H3,(H,22,24)
InChIKeyMFQSCAYVMNLHQE-UHFFFAOYSA-N
XLogP2.82
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide (CID 135298758) is N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ccccn2)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide?
The InChIKey is MFQSCAYVMNLHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-13-10-14(17-7-4-5-9-21-17)12-15(11-13)19(24)22-23-27(25,26)18-8-3-2-6-16(18)20/h2-12,23H,1H3,(H,22,24).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide has a molecular weight of 385.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide is sourced from PubChem (CID 135298758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).