3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide

C17H14F2N4O3S — CID 135298542

IUPAC3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide
SMILESCc1ccn(-c2cc(F)cc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)n1
InChIInChI=1S/C17H14F2N4O3S/c1-11-6-7-23(21-11)14-9-12(8-13(18)10-14)17(24)20-22-27(25,26)16-5-3-2-4-15(16)19/h2-10,22H,1H3,(H,20,24)
InChIKeyLHSITODGOANROC-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.08
Rot. Bonds5

About 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide

3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide (PubChem CID 135298542) has the molecular formula C17H14F2N4O3S and a molecular weight of 392.39 g/mol. Its IUPAC name is 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide.

Molecular Properties

Compound Name3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide
PubChem CID135298542
Molecular FormulaC17H14F2N4O3S
Molecular Weight392.39 g/mol
Exact Mass392.08
IUPAC Name3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide
SMILESCc1ccn(-c2cc(F)cc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)n1
InChIInChI=1S/C17H14F2N4O3S/c1-11-6-7-23(21-11)14-9-12(8-13(18)10-14)17(24)20-22-27(25,26)16-5-3-2-4-15(16)19/h2-10,22H,1H3,(H,20,24)
InChIKeyLHSITODGOANROC-UHFFFAOYSA-N
XLogP2.08
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.08
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

2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide
CID 135298636
Pyrazolyl benzenesulfonamide derivative, 7a
CID 57411990
Pyrazolyl benzenesulfonamide derivative, 7b
CID 57411991
N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44469942
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide
CID 58138789
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138841
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138880
N'-(benzenesulfonyl)-2-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 124132137
N'-(2-fluorophenyl)sulfonyl-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298536
N'-(benzenesulfonyl)-2-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298537
N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide
CID 135298544
N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide
CID 135298545

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide?
The IUPAC name of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide (CID 135298542) is 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide.
What is the SMILES notation for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide?
The canonical SMILES for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide is Cc1ccn(-c2cc(F)cc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)n1.
What is the InChIKey of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide?
The InChIKey is LHSITODGOANROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3S/c1-11-6-7-23(21-11)14-9-12(8-13(18)10-14)17(24)20-22-27(25,26)16-5-3-2-4-15(16)19/h2-10,22H,1H3,(H,20,24).
What are the key properties of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide?
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide has a molecular weight of 392.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide is sourced from PubChem (CID 135298542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).