N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide

C17H14F2N4O3S — CID 135298547

IUPACN'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide
SMILESCc1cc(-n2cc(F)cn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C17H14F2N4O3S/c1-11-7-13(23-10-12(18)9-20-23)8-15(16(11)19)17(24)21-22-27(25,26)14-5-3-2-4-6-14/h2-10,22H,1H3,(H,21,24)
InChIKeyAAJDCAXJINQPQE-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.08
Rot. Bonds5

About N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide

N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide (PubChem CID 135298547) has the molecular formula C17H14F2N4O3S and a molecular weight of 392.39 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide
PubChem CID135298547
Molecular FormulaC17H14F2N4O3S
Molecular Weight392.39 g/mol
Exact Mass392.08
IUPAC NameN'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide
SMILESCc1cc(-n2cc(F)cn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C17H14F2N4O3S/c1-11-7-13(23-10-12(18)9-20-23)8-15(16(11)19)17(24)21-22-27(25,26)14-5-3-2-4-6-14/h2-10,22H,1H3,(H,21,24)
InChIKeyAAJDCAXJINQPQE-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'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide (CID 135298547) is N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide is Cc1cc(-n2cc(F)cn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide?
The InChIKey is AAJDCAXJINQPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3S/c1-11-7-13(23-10-12(18)9-20-23)8-15(16(11)19)17(24)21-22-27(25,26)14-5-3-2-4-6-14/h2-10,22H,1H3,(H,21,24).
What are the key properties of N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide?
N'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-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'-(benzenesulfonyl)-2-fluoro-5-(4-fluoropyrazol-1-yl)-3-methylbenzohydrazide is sourced from PubChem (CID 135298547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).