N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide

C17H14F2N4O3S — CID 135298545

IUPACN'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2cc(F)cn2)c1
InChIInChI=1S/C17H14F2N4O3S/c1-11-6-12(8-14(7-11)23-10-13(18)9-20-23)17(24)21-22-27(25,26)16-5-3-2-4-15(16)19/h2-10,22H,1H3,(H,21,24)
InChIKeyUNMZAHVTHHPJGH-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.08
Rot. Bonds5

About N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide

N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide (PubChem CID 135298545) has the molecular formula C17H14F2N4O3S and a molecular weight of 392.39 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide
PubChem CID135298545
Molecular FormulaC17H14F2N4O3S
Molecular Weight392.39 g/mol
Exact Mass392.08
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2cc(F)cn2)c1
InChIInChI=1S/C17H14F2N4O3S/c1-11-6-12(8-14(7-11)23-10-13(18)9-20-23)17(24)21-22-27(25,26)16-5-3-2-4-15(16)19/h2-10,22H,1H3,(H,21,24)
InChIKeyUNMZAHVTHHPJGH-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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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide (CID 135298545) is N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2cc(F)cn2)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide?
The InChIKey is UNMZAHVTHHPJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3S/c1-11-6-12(8-14(7-11)23-10-13(18)9-20-23)17(24)21-22-27(25,26)16-5-3-2-4-15(16)19/h2-10,22H,1H3,(H,21,24).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide 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 N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)-5-methylbenzohydrazide is sourced from PubChem (CID 135298545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).