N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide

C17H15FN4O3S — CID 135298598

IUPACN'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide
SMILESCc1ccn(-c2cc(F)cc(C(=O)NNS(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C17H15FN4O3S/c1-12-7-8-22(20-12)15-10-13(9-14(18)11-15)17(23)19-21-26(24,25)16-5-3-2-4-6-16/h2-11,21H,1H3,(H,19,23)
InChIKeyVVXNDCBDGPYQHR-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.94
Rot. Bonds5

About N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide

N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide (PubChem CID 135298598) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide
PubChem CID135298598
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC NameN'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide
SMILESCc1ccn(-c2cc(F)cc(C(=O)NNS(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C17H15FN4O3S/c1-12-7-8-22(20-12)15-10-13(9-14(18)11-15)17(23)19-21-26(24,25)16-5-3-2-4-6-16/h2-11,21H,1H3,(H,19,23)
InChIKeyVVXNDCBDGPYQHR-UHFFFAOYSA-N
XLogP1.94
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.94
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-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852
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
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298542

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide (CID 135298598) is N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide is Cc1ccn(-c2cc(F)cc(C(=O)NNS(=O)(=O)c3ccccc3)c2)n1.
What is the InChIKey of N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide?
The InChIKey is VVXNDCBDGPYQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-12-7-8-22(20-12)15-10-13(9-14(18)11-15)17(23)19-21-26(24,25)16-5-3-2-4-6-16/h2-11,21H,1H3,(H,19,23).
What are the key properties of N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide?
N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide has a molecular weight of 374.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide is sourced from PubChem (CID 135298598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).