N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide

C19H16FN3O3S — CID 134581398

IUPACN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide
SMILESCc1cc(-c2ccccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C19H16FN3O3S/c1-13-11-14(17-9-5-6-10-21-17)12-16(18(13)20)19(24)22-23-27(25,26)15-7-3-2-4-8-15/h2-12,23H,1H3,(H,22,24)
InChIKeyMWANLGMUCLJUNG-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.82
Rot. Bonds5

About N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide

N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide (PubChem CID 134581398) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide
PubChem CID134581398
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide
SMILESCc1cc(-c2ccccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C19H16FN3O3S/c1-13-11-14(17-9-5-6-10-21-17)12-16(18(13)20)19(24)22-23-27(25,26)15-7-3-2-4-8-15/h2-12,23H,1H3,(H,22,24)
InChIKeyMWANLGMUCLJUNG-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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Related Compounds

WM-1119
CID 133080719
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
3-[(3R,4R)-1-(1-Benzenesulfonyl-1H-pyrrol-2-ylmethyl)-3,4-dimethyl-piperidin-4-yl]-benzamide
CID 44358923
N'-(benzenesulfonyl)-3-pyridin-2-ylbenzohydrazide
CID 124132171
N'-(2-fluorophenyl)sulfonyl-3-pyridin-2-ylbenzohydrazide
CID 124132172
N'-(2-fluorophenyl)sulfonyl-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298536
N'-(benzenesulfonyl)-2-fluoro-5-pyridin-2-ylbenzohydrazide
CID 135298621
N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyridin-2-ylbenzohydrazide
CID 135298758
N'-(benzenesulfonyl)-3-fluoro-5-pyridin-2-ylbenzohydrazide
CID 135298762
N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298778
4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139369409
3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139369429

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide (CID 134581398) is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide is Cc1cc(-c2ccccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide?
The InChIKey is MWANLGMUCLJUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-13-11-14(17-9-5-6-10-21-17)12-16(18(13)20)19(24)22-23-27(25,26)15-7-3-2-4-8-15/h2-12,23H,1H3,(H,22,24).
What are the key properties of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide?
N'-(benzenesulfonyl)-2-fluoro-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'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyridin-2-ylbenzohydrazide is sourced from PubChem (CID 134581398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).