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

C19H16FN3O4S — CID 135298631

IUPACN'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ccccn2)c1
InChIInChI=1S/C19H16FN3O4S/c1-27-15-11-13(17-7-4-5-9-21-17)10-14(12-15)19(24)22-23-28(25,26)18-8-3-2-6-16(18)20/h2-12,23H,1H3,(H,22,24)
InChIKeyBPRHUJQGPQDKMZ-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.52
Rot. Bonds6

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

N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide (PubChem CID 135298631) has the molecular formula C19H16FN3O4S and a molecular weight of 401.42 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide
PubChem CID135298631
Molecular FormulaC19H16FN3O4S
Molecular Weight401.42 g/mol
Exact Mass401.08
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ccccn2)c1
InChIInChI=1S/C19H16FN3O4S/c1-27-15-11-13(17-7-4-5-9-21-17)10-14(12-15)19(24)22-23-28(25,26)18-8-3-2-6-16(18)20/h2-12,23H,1H3,(H,22,24)
InChIKeyBPRHUJQGPQDKMZ-UHFFFAOYSA-N
XLogP2.52
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyridin-2-ylbenzohydrazide
CID 133080719
N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide
CID 176885216
N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-enamide
CID 176885204
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
CID 135298667
3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 135298630
2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
CID 159837949
3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155532167
N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide
CID 135298604
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549
N-[[2-[3-[[(2,6-dimethoxyphenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-enamide
CID 176885220
methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate
CID 8615357
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide (CID 135298631) is N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ccccn2)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide?
The InChIKey is BPRHUJQGPQDKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4S/c1-27-15-11-13(17-7-4-5-9-21-17)10-14(12-15)19(24)22-23-28(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-methoxy-5-pyridin-2-ylbenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide has a molecular weight of 401.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide is sourced from PubChem (CID 135298631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).