N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide

C16H13FN4O3S — CID 2405710

IUPACN'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H13FN4O3S/c17-12-8-4-5-9-15(12)25(23,24)21-20-16(22)14-10-13(18-19-14)11-6-2-1-3-7-11/h1-10,21H,(H,18,19)(H,20,22)
InChIKeyNWTFRRXCZATCIF-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.84
Rot. Bonds5

About N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 2405710) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID2405710
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H13FN4O3S/c17-12-8-4-5-9-15(12)25(23,24)21-20-16(22)14-10-13(18-19-14)11-6-2-1-3-7-11/h1-10,21H,(H,18,19)(H,20,22)
InChIKeyNWTFRRXCZATCIF-UHFFFAOYSA-N
XLogP1.84
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 2405710) is N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is NWTFRRXCZATCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-12-8-4-5-9-15(12)25(23,24)21-20-16(22)14-10-13(18-19-14)11-6-2-1-3-7-11/h1-10,21H,(H,18,19)(H,20,22).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 360.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 2405710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).