N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide

C17H15FN4O3S — CID 135298564

IUPACN'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2cccn2)c1
InChIInChI=1S/C17H15FN4O3S/c1-12-9-13(11-14(10-12)22-8-4-7-19-22)17(23)20-21-26(24,25)16-6-3-2-5-15(16)18/h2-11,21H,1H3,(H,20,23)
InChIKeyYJGVKIBCVOPDDD-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.94
Rot. Bonds5

About N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide

N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide (PubChem CID 135298564) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide
PubChem CID135298564
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2cccn2)c1
InChIInChI=1S/C17H15FN4O3S/c1-12-9-13(11-14(10-12)22-8-4-7-19-22)17(23)20-21-26(24,25)16-6-3-2-5-15(16)18/h2-11,21H,1H3,(H,20,23)
InChIKeyYJGVKIBCVOPDDD-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
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide
CID 135298649
Pyrazolyl benzenesulfonamide derivative, 7a
CID 57411990
Pyrazolyl benzenesulfonamide derivative, 7b
CID 57411991
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
N'-(benzenesulfonyl)-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide
CID 135298544
N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide
CID 135298545
N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide
CID 135298547
N'-(benzenesulfonyl)-3-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298571

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide (CID 135298564) is N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2cccn2)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide?
The InChIKey is YJGVKIBCVOPDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-12-9-13(11-14(10-12)22-8-4-7-19-22)17(23)20-21-26(24,25)16-6-3-2-5-15(16)18/h2-11,21H,1H3,(H,20,23).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide 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'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrazol-1-ylbenzohydrazide is sourced from PubChem (CID 135298564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).